smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164706171 719839793 /nfs/dbraw/zinc/83/97/93/719839793.db2.gz WOHUPDAASFHLOF-WMLDXEAASA-N 1 2 380.401 0.461 20 5 GCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702584 719859064 /nfs/dbraw/zinc/85/90/64/719859064.db2.gz ODJGUQKAQDNMFT-PXAZEXFGSA-N 1 2 379.417 0.805 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702586 719859221 /nfs/dbraw/zinc/85/92/21/719859221.db2.gz ODJGUQKAQDNMFT-SJKOYZFVSA-N 1 2 379.417 0.805 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702588 719859314 /nfs/dbraw/zinc/85/93/14/719859314.db2.gz ODJGUQKAQDNMFT-YVEFUNNKSA-N 1 2 379.417 0.805 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164702585 719859348 /nfs/dbraw/zinc/85/93/48/719859348.db2.gz ODJGUQKAQDNMFT-SJCJKPOMSA-N 1 2 379.417 0.805 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001164702963 719876226 /nfs/dbraw/zinc/87/62/26/719876226.db2.gz JJDNCWOSPVHZJC-SUMWQHHRSA-N 1 2 379.417 0.926 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c1-c1nn[nH]n1 ZINC000826500342 948415386 /nfs/dbraw/zinc/41/53/86/948415386.db2.gz UTELGGMQAGCHLY-UHFFFAOYSA-N 1 2 376.358 0.217 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])n1 ZINC000611106643 530233294 /nfs/dbraw/zinc/23/32/94/530233294.db2.gz QIFKCYPOROLTCD-UHFFFAOYSA-N 1 2 375.451 0.543 20 5 GCBDLO COc1cc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000274360875 530250905 /nfs/dbraw/zinc/25/09/05/530250905.db2.gz ZLQYPVPLHNXDSY-SNVBAGLBSA-N 1 2 376.410 0.748 20 5 GCBDLO COc1cc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000274360875 530250906 /nfs/dbraw/zinc/25/09/06/530250906.db2.gz ZLQYPVPLHNXDSY-SNVBAGLBSA-N 1 2 376.410 0.748 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000263692173 530254989 /nfs/dbraw/zinc/25/49/89/530254989.db2.gz LKWHWURRLSJPQR-UHFFFAOYSA-N 1 2 390.849 0.737 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000614551115 530309965 /nfs/dbraw/zinc/30/99/65/530309965.db2.gz YRVNLKDTRYBEKV-TVQRCGJNSA-N 1 2 377.394 0.740 20 5 GCBDLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517406662 530355936 /nfs/dbraw/zinc/35/59/36/530355936.db2.gz DVKOABPPBRASFO-LBPRGKRZSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517406662 530355937 /nfs/dbraw/zinc/35/59/37/530355937.db2.gz DVKOABPPBRASFO-LBPRGKRZSA-N 1 2 390.849 0.866 20 5 GCBDLO CS(=O)(=O)N1CC[NH+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587439207 530551009 /nfs/dbraw/zinc/55/10/09/530551009.db2.gz DPYLADLCAFKFGE-UHFFFAOYSA-N 1 2 386.459 0.589 20 5 GCBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000266910835 530566935 /nfs/dbraw/zinc/56/69/35/530566935.db2.gz CWHPGRHHZUNADW-HIFRSBDPSA-N 1 2 389.861 0.836 20 5 GCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000268516232 530687330 /nfs/dbraw/zinc/68/73/30/530687330.db2.gz YKUMRKVLAHXJBS-NSHDSACASA-N 1 2 375.223 0.882 20 5 GCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Cl)c1 ZINC000273052247 530801332 /nfs/dbraw/zinc/80/13/32/530801332.db2.gz YQMCUCJVHQGCKT-LSDHHAIUSA-N 1 2 389.861 0.836 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+](C)C1 ZINC000416585572 530847200 /nfs/dbraw/zinc/84/72/00/530847200.db2.gz OACZUENIACZCBT-JTQLQIEISA-N 1 2 377.444 0.690 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+](C)C1 ZINC000416585572 530847202 /nfs/dbraw/zinc/84/72/02/530847202.db2.gz OACZUENIACZCBT-JTQLQIEISA-N 1 2 377.444 0.690 20 5 GCBDLO C[C@@](O)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000443252451 530893836 /nfs/dbraw/zinc/89/38/36/530893836.db2.gz QQHKMHSUMNWZSX-CQSZACIVSA-N 1 2 393.849 0.610 20 5 GCBDLO C[C@](O)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000443252448 530894276 /nfs/dbraw/zinc/89/42/76/530894276.db2.gz QQHKMHSUMNWZSX-AWEZNQCLSA-N 1 2 393.849 0.610 20 5 GCBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825458732 607612973 /nfs/dbraw/zinc/61/29/73/607612973.db2.gz DXHHQCBLJRKTRN-NSHDSACASA-N 1 2 395.445 0.928 20 5 GCBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825458732 607612974 /nfs/dbraw/zinc/61/29/74/607612974.db2.gz DXHHQCBLJRKTRN-NSHDSACASA-N 1 2 395.445 0.928 20 5 GCBDLO CCCNC(=O)C[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821113993 606697956 /nfs/dbraw/zinc/69/79/56/606697956.db2.gz ISIBBJXNJFQRRB-UHFFFAOYSA-N 1 2 389.420 0.572 20 5 GCBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1C ZINC000825453238 608238275 /nfs/dbraw/zinc/23/82/75/608238275.db2.gz UQOQEYCBULIOGH-GHMZBOCLSA-N 1 2 395.445 0.878 20 5 GCBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1C ZINC000825453238 608238276 /nfs/dbraw/zinc/23/82/76/608238276.db2.gz UQOQEYCBULIOGH-GHMZBOCLSA-N 1 2 395.445 0.878 20 5 GCBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C(C)(C)C1 ZINC000826038801 608342797 /nfs/dbraw/zinc/34/27/97/608342797.db2.gz XTKPDVRCCVGORV-UHFFFAOYSA-N 1 2 381.418 0.490 20 5 GCBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C(C)(C)C1 ZINC000826038801 608342799 /nfs/dbraw/zinc/34/27/99/608342799.db2.gz XTKPDVRCCVGORV-UHFFFAOYSA-N 1 2 381.418 0.490 20 5 GCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000568564635 1192306862 /nfs/dbraw/zinc/30/68/62/1192306862.db2.gz FBPUZVUPJVGTSP-LBPRGKRZSA-N 1 2 393.396 0.996 20 5 GCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000568564635 1192306865 /nfs/dbraw/zinc/30/68/65/1192306865.db2.gz FBPUZVUPJVGTSP-LBPRGKRZSA-N 1 2 393.396 0.996 20 5 GCBDLO COc1cccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000274631403 1184130836 /nfs/dbraw/zinc/13/08/36/1184130836.db2.gz YFKQESSCAIXYIS-UHFFFAOYSA-N 1 2 399.473 0.218 20 5 GCBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000274634904 1184132217 /nfs/dbraw/zinc/13/22/17/1184132217.db2.gz TZUIAMVLDJVZBA-UHFFFAOYSA-N 1 2 375.429 0.947 20 5 GCBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000274634904 1184132223 /nfs/dbraw/zinc/13/22/23/1184132223.db2.gz TZUIAMVLDJVZBA-UHFFFAOYSA-N 1 2 375.429 0.947 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000430212107 1184287634 /nfs/dbraw/zinc/28/76/34/1184287634.db2.gz ZIWUYKWCVXMXGX-HUUCEWRRSA-N 1 2 385.442 0.191 20 5 GCBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000274978470 1184447065 /nfs/dbraw/zinc/44/70/65/1184447065.db2.gz LTRHCAILMFPWEC-KBPBESRZSA-N 1 2 385.421 0.378 20 5 GCBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000274978470 1184447067 /nfs/dbraw/zinc/44/70/67/1184447067.db2.gz LTRHCAILMFPWEC-KBPBESRZSA-N 1 2 385.421 0.378 20 5 GCBDLO COc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335826 1184972927 /nfs/dbraw/zinc/97/29/27/1184972927.db2.gz QIIYVAHHACHMJH-OAHLLOKOSA-N 1 2 389.412 0.619 20 5 GCBDLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000536603449 1185195447 /nfs/dbraw/zinc/19/54/47/1185195447.db2.gz QSFDIEGYLHFXAY-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000581112162 1185502959 /nfs/dbraw/zinc/50/29/59/1185502959.db2.gz DGZNXRDOSGEBTB-ZDUSSCGKSA-N 1 2 393.425 0.934 20 5 GCBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000471882698 1186060229 /nfs/dbraw/zinc/06/02/29/1186060229.db2.gz IJRCCJBEXXYBSQ-UHFFFAOYSA-N 1 2 384.458 0.688 20 5 GCBDLO Nc1nc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c2ccccc12 ZINC000535721029 1186205643 /nfs/dbraw/zinc/20/56/43/1186205643.db2.gz HMCVANHLUURSRF-UHFFFAOYSA-N 1 2 388.409 0.933 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610924344 1186260645 /nfs/dbraw/zinc/26/06/45/1186260645.db2.gz PQWGLFVZYIFNHR-MRXNPFEDSA-N 1 2 391.428 0.327 20 5 GCBDLO O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1cc(N2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000610945912 1186264131 /nfs/dbraw/zinc/26/41/31/1186264131.db2.gz HBUPCMJCRZTDLS-ZIAGYGMSSA-N 1 2 378.429 0.666 20 5 GCBDLO O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1cc(N2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000610945912 1186264138 /nfs/dbraw/zinc/26/41/38/1186264138.db2.gz HBUPCMJCRZTDLS-ZIAGYGMSSA-N 1 2 378.429 0.666 20 5 GCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000274357130 1186379638 /nfs/dbraw/zinc/37/96/38/1186379638.db2.gz PJYMAUPWVNGLTF-UHFFFAOYSA-N 1 2 385.442 0.973 20 5 GCBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000551327903 1186409936 /nfs/dbraw/zinc/40/99/36/1186409936.db2.gz AXIZSHPZHORTCX-LSDHHAIUSA-N 1 2 377.397 0.840 20 5 GCBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000551327903 1186409941 /nfs/dbraw/zinc/40/99/41/1186409941.db2.gz AXIZSHPZHORTCX-LSDHHAIUSA-N 1 2 377.397 0.840 20 5 GCBDLO C[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000582927861 1186732169 /nfs/dbraw/zinc/73/21/69/1186732169.db2.gz ABZUILZGWKAWHL-LBPRGKRZSA-N 1 2 397.863 0.730 20 5 GCBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278067234 1186766353 /nfs/dbraw/zinc/76/63/53/1186766353.db2.gz GBPCYCLQLXVQGR-PBHICJAKSA-N 1 2 381.429 0.903 20 5 GCBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278067234 1186766355 /nfs/dbraw/zinc/76/63/55/1186766355.db2.gz GBPCYCLQLXVQGR-PBHICJAKSA-N 1 2 381.429 0.903 20 5 GCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000584113379 1187002402 /nfs/dbraw/zinc/00/24/02/1187002402.db2.gz OZUJBPPMWOZHDN-HNNXBMFYSA-N 1 2 379.442 0.847 20 5 GCBDLO Cn1c2ccccc2c(N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1=O ZINC000892653910 1187890259 /nfs/dbraw/zinc/89/02/59/1187890259.db2.gz FCWFULBHUYDODD-SANMLTNESA-N 1 2 378.454 0.947 20 5 GCBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](CCn3cncn3)CC2)c1F ZINC000412118396 1188069128 /nfs/dbraw/zinc/06/91/28/1188069128.db2.gz FBYSNTZJAAYBTM-UHFFFAOYSA-N 1 2 392.391 0.721 20 5 GCBDLO CN1CCN(c2cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH+]cn2)CC1=O ZINC000274356356 1189457409 /nfs/dbraw/zinc/45/74/09/1189457409.db2.gz LYLCZFKJOIBBJS-UHFFFAOYSA-N 1 2 397.439 0.990 20 5 GCBDLO CN1CCN(c2cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc[nH+]2)CC1=O ZINC000274356356 1189457412 /nfs/dbraw/zinc/45/74/12/1189457412.db2.gz LYLCZFKJOIBBJS-UHFFFAOYSA-N 1 2 397.439 0.990 20 5 GCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000416577865 1189555583 /nfs/dbraw/zinc/55/55/83/1189555583.db2.gz FRDNCCYPBZCEHH-CYBMUJFWSA-N 1 2 385.442 0.883 20 5 GCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000416577865 1189555586 /nfs/dbraw/zinc/55/55/86/1189555586.db2.gz FRDNCCYPBZCEHH-CYBMUJFWSA-N 1 2 385.442 0.883 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416590681 1189558154 /nfs/dbraw/zinc/55/81/54/1189558154.db2.gz SQMUXFAFVBSAGA-LLVKDONJSA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416590681 1189558157 /nfs/dbraw/zinc/55/81/57/1189558157.db2.gz SQMUXFAFVBSAGA-LLVKDONJSA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000416591482 1189558456 /nfs/dbraw/zinc/55/84/56/1189558456.db2.gz UDIKJTMFUYGGER-NSHDSACASA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+](C)C1 ZINC000416591482 1189558461 /nfs/dbraw/zinc/55/84/61/1189558461.db2.gz UDIKJTMFUYGGER-NSHDSACASA-N 1 2 387.414 0.329 20 5 GCBDLO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCCNC1=O ZINC000105610174 1189737755 /nfs/dbraw/zinc/73/77/55/1189737755.db2.gz ZNDPHTJHEOZHJK-KRWDZBQOSA-N 1 2 389.456 0.844 20 5 GCBDLO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCCNC1=O ZINC000105610174 1189737759 /nfs/dbraw/zinc/73/77/59/1189737759.db2.gz ZNDPHTJHEOZHJK-KRWDZBQOSA-N 1 2 389.456 0.844 20 5 GCBDLO Nc1nsc(N2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000468790371 1189840124 /nfs/dbraw/zinc/84/01/24/1189840124.db2.gz BPFDYTKCLJTFDO-LBPRGKRZSA-N 1 2 380.430 0.590 20 5 GCBDLO 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C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000771144021 1202127543 /nfs/dbraw/zinc/12/75/43/1202127543.db2.gz FFOONRSRBMDSRB-AREMUKBSSA-N 1 2 380.470 0.988 20 5 GCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771519411 1202146130 /nfs/dbraw/zinc/14/61/30/1202146130.db2.gz CYWDUADEDWLMSZ-NSHDSACASA-N 1 2 381.414 0.365 20 5 GCBDLO Nc1cc(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000791779891 1205480483 /nfs/dbraw/zinc/48/04/83/1205480483.db2.gz WIMGFDQYYUKRMO-UHFFFAOYSA-N 1 2 380.382 0.984 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000807282988 1205577941 /nfs/dbraw/zinc/57/79/41/1205577941.db2.gz CYCQTXIKDGCXHD-CYBMUJFWSA-N 1 2 384.352 0.949 20 5 GCBDLO COCCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000808237593 1205604236 /nfs/dbraw/zinc/60/42/36/1205604236.db2.gz XRIHUFTUGDRGKT-KRWDZBQOSA-N 1 2 380.401 0.914 20 5 GCBDLO COCCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000808237593 1205604237 /nfs/dbraw/zinc/60/42/37/1205604237.db2.gz XRIHUFTUGDRGKT-KRWDZBQOSA-N 1 2 380.401 0.914 20 5 GCBDLO O=C1[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C1CCOCC1 ZINC000747530547 1205613172 /nfs/dbraw/zinc/61/31/72/1205613172.db2.gz PPHROMNTTDNMHD-INIZCTEOSA-N 1 2 375.429 0.892 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC001164636780 719270355 /nfs/dbraw/zinc/27/03/55/719270355.db2.gz WYEIIISLVAAKCU-UHFFFAOYSA-N 1 2 381.408 0.888 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC001164636780 719270356 /nfs/dbraw/zinc/27/03/56/719270356.db2.gz WYEIIISLVAAKCU-UHFFFAOYSA-N 1 2 381.408 0.888 20 5 GCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(OC)n1 ZINC001164706218 719837817 /nfs/dbraw/zinc/83/78/17/719837817.db2.gz XBMKAAXKGLXYQR-PXAZEXFGSA-N 1 2 395.416 0.626 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001164703646 719866397 /nfs/dbraw/zinc/86/63/97/719866397.db2.gz JZNHSWXEKLGDDV-SJCJKPOMSA-N 1 2 379.417 0.805 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164719742 720237113 /nfs/dbraw/zinc/23/71/13/720237113.db2.gz OMFZQYNBSUCRSG-QGZVFWFLSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164719742 720237123 /nfs/dbraw/zinc/23/71/23/720237123.db2.gz OMFZQYNBSUCRSG-QGZVFWFLSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001164720602 720265668 /nfs/dbraw/zinc/26/56/68/720265668.db2.gz YTZGQOMTUKGPOS-SFHVURJKSA-N 1 2 393.444 0.201 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001164720602 720265671 /nfs/dbraw/zinc/26/56/71/720265671.db2.gz YTZGQOMTUKGPOS-SFHVURJKSA-N 1 2 393.444 0.201 20 5 GCBDLO CCn1cc(S(=O)(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000433353947 530199705 /nfs/dbraw/zinc/19/97/05/530199705.db2.gz RDGMPZOVEHLHGH-UHFFFAOYSA-N 1 2 375.451 0.543 20 5 GCBDLO CCn1cc(S(=O)(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000433353947 530199708 /nfs/dbraw/zinc/19/97/08/530199708.db2.gz RDGMPZOVEHLHGH-UHFFFAOYSA-N 1 2 375.451 0.543 20 5 GCBDLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518620444 530217260 /nfs/dbraw/zinc/21/72/60/530217260.db2.gz QWGZMDDVZOUXJZ-NSHDSACASA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518620444 530217262 /nfs/dbraw/zinc/21/72/62/530217262.db2.gz QWGZMDDVZOUXJZ-NSHDSACASA-N 1 2 390.849 0.866 20 5 GCBDLO CCn1cc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC000435795942 530309233 /nfs/dbraw/zinc/30/92/33/530309233.db2.gz GQASNENOGCNELK-GFCCVEGCSA-N 1 2 375.451 0.446 20 5 GCBDLO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517406657 530355902 /nfs/dbraw/zinc/35/59/02/530355902.db2.gz DVKOABPPBRASFO-GFCCVEGCSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517406657 530355904 /nfs/dbraw/zinc/35/59/04/530355904.db2.gz DVKOABPPBRASFO-GFCCVEGCSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615102 530375322 /nfs/dbraw/zinc/37/53/22/530375322.db2.gz QMNFSZSUXQLZLS-GFCCVEGCSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615102 530375324 /nfs/dbraw/zinc/37/53/24/530375324.db2.gz QMNFSZSUXQLZLS-GFCCVEGCSA-N 1 2 390.849 0.866 20 5 GCBDLO CCn1cc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631898 530901722 /nfs/dbraw/zinc/90/17/22/530901722.db2.gz FYFBTQFNUJVGLP-RYUDHWBXSA-N 1 2 375.451 0.589 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275112969 530904081 /nfs/dbraw/zinc/90/40/81/530904081.db2.gz WUJUVKUAAHQCGC-SNVBAGLBSA-N 1 2 376.410 0.267 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275112969 530904085 /nfs/dbraw/zinc/90/40/85/530904085.db2.gz WUJUVKUAAHQCGC-SNVBAGLBSA-N 1 2 376.410 0.267 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275415304 530908518 /nfs/dbraw/zinc/90/85/18/530908518.db2.gz PPQFXZUOZRMYLL-JTQLQIEISA-N 1 2 377.394 0.430 20 5 GCBDLO COc1cc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c([N+](=O)[O-])cc1F ZINC000464684175 530909892 /nfs/dbraw/zinc/90/98/92/530909892.db2.gz FACALIYZTTVJPK-UHFFFAOYSA-N 1 2 376.410 0.149 20 5 GCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000270968710 530888400 /nfs/dbraw/zinc/88/84/00/530888400.db2.gz HSLJVUQBJSBBPU-UHFFFAOYSA-N 1 2 385.218 0.909 20 5 GCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000270968710 530888403 /nfs/dbraw/zinc/88/84/03/530888403.db2.gz HSLJVUQBJSBBPU-UHFFFAOYSA-N 1 2 385.218 0.909 20 5 GCBDLO CN(C)C(=O)CN(CC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596460877 530943908 /nfs/dbraw/zinc/94/39/08/530943908.db2.gz BZJCGNHHKBCAHT-UHFFFAOYSA-N 1 2 378.476 0.516 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056044827 531001842 /nfs/dbraw/zinc/00/18/42/531001842.db2.gz QNYWVDDLPJRQEV-UHFFFAOYSA-N 1 2 390.849 0.737 20 5 GCBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824947990 607588745 /nfs/dbraw/zinc/58/87/45/607588745.db2.gz SFEJTNDDOFEGAK-LLVKDONJSA-N 1 2 395.445 0.785 20 5 GCBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824947990 607588746 /nfs/dbraw/zinc/58/87/46/607588746.db2.gz SFEJTNDDOFEGAK-LLVKDONJSA-N 1 2 395.445 0.785 20 5 GCBDLO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000825458484 607608264 /nfs/dbraw/zinc/60/82/64/607608264.db2.gz CZDNOBBHWIRCAZ-UHFFFAOYSA-N 1 2 381.418 0.491 20 5 GCBDLO CC[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000825458484 607608267 /nfs/dbraw/zinc/60/82/67/607608267.db2.gz CZDNOBBHWIRCAZ-UHFFFAOYSA-N 1 2 381.418 0.491 20 5 GCBDLO O=c1ccccn1CC[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000823664620 606709548 /nfs/dbraw/zinc/70/95/48/606709548.db2.gz BGXNRSHJYZUJQC-UHFFFAOYSA-N 1 2 397.399 0.154 20 5 GCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000568564634 1192307002 /nfs/dbraw/zinc/30/70/02/1192307002.db2.gz FBPUZVUPJVGTSP-GFCCVEGCSA-N 1 2 393.396 0.996 20 5 GCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000568564634 1192307007 /nfs/dbraw/zinc/30/70/07/1192307007.db2.gz FBPUZVUPJVGTSP-GFCCVEGCSA-N 1 2 393.396 0.996 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279249395 1192494176 /nfs/dbraw/zinc/49/41/76/1192494176.db2.gz GXIGWILRBFMIDI-ZDUSSCGKSA-N 1 2 394.428 0.512 20 5 GCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279537204 1192554063 /nfs/dbraw/zinc/55/40/63/1192554063.db2.gz QMRDKUFDHOEXFJ-QGZVFWFLSA-N 1 2 384.352 0.595 20 5 GCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279537198 1192554294 /nfs/dbraw/zinc/55/42/94/1192554294.db2.gz QMRDKUFDHOEXFJ-KRWDZBQOSA-N 1 2 384.352 0.595 20 5 GCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000728908965 1192602082 /nfs/dbraw/zinc/60/20/82/1192602082.db2.gz RLZBXGSGWHHTAI-GFCCVEGCSA-N 1 2 392.416 0.794 20 5 GCBDLO COc1c(N)[nH+]cnc1N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573578007 1192907724 /nfs/dbraw/zinc/90/77/24/1192907724.db2.gz APIKDFAWZBYYSX-UHFFFAOYSA-N 1 2 382.402 0.390 20 5 GCBDLO COc1c(N)nc[nH+]c1N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573578007 1192907725 /nfs/dbraw/zinc/90/77/25/1192907725.db2.gz APIKDFAWZBYYSX-UHFFFAOYSA-N 1 2 382.402 0.390 20 5 GCBDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000157480986 1184105066 /nfs/dbraw/zinc/10/50/66/1184105066.db2.gz KOINBFATJCINJP-HZPDHXFCSA-N 1 2 378.477 0.913 20 5 GCBDLO COc1ccccc1C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335825 1184972835 /nfs/dbraw/zinc/97/28/35/1184972835.db2.gz QIIYVAHHACHMJH-HNNXBMFYSA-N 1 2 389.412 0.619 20 5 GCBDLO C[C@@H](CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000580571190 1185277693 /nfs/dbraw/zinc/27/76/93/1185277693.db2.gz BEWQNLOTDOXYBH-LBPRGKRZSA-N 1 2 381.414 0.837 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000262109345 1185319617 /nfs/dbraw/zinc/31/96/17/1185319617.db2.gz WHHURSZPBINQAD-ZDUSSCGKSA-N 1 2 399.404 0.811 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610462715 1185372420 /nfs/dbraw/zinc/37/24/20/1185372420.db2.gz SNTGXNGYLCKGPR-CQSZACIVSA-N 1 2 392.412 0.865 20 5 GCBDLO O=C(CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1)NC1CC1 ZINC000033221485 1185687720 /nfs/dbraw/zinc/68/77/20/1185687720.db2.gz PLVGPNACIMWZPG-UHFFFAOYSA-N 1 2 398.423 0.817 20 5 GCBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126664398 1185790070 /nfs/dbraw/zinc/79/00/70/1185790070.db2.gz LTMWPLQEHNKGCT-RXBISOJRSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126664398 1185790074 /nfs/dbraw/zinc/79/00/74/1185790074.db2.gz LTMWPLQEHNKGCT-RXBISOJRSA-N 1 2 382.486 0.942 20 5 GCBDLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000610921230 1186259599 /nfs/dbraw/zinc/25/95/99/1186259599.db2.gz CWWXVRNNFIGRSN-CABCVRRESA-N 1 2 378.429 0.951 20 5 GCBDLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000610921230 1186259602 /nfs/dbraw/zinc/25/96/02/1186259602.db2.gz CWWXVRNNFIGRSN-CABCVRRESA-N 1 2 378.429 0.951 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610924343 1186260561 /nfs/dbraw/zinc/26/05/61/1186260561.db2.gz PQWGLFVZYIFNHR-INIZCTEOSA-N 1 2 391.428 0.327 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000277228121 1186298630 /nfs/dbraw/zinc/29/86/30/1186298630.db2.gz XGDUVXNYDWQWQS-ZDUSSCGKSA-N 1 2 392.412 0.266 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000478371992 1186514359 /nfs/dbraw/zinc/51/43/59/1186514359.db2.gz QXQUZRLLLXBWIN-CYBMUJFWSA-N 1 2 390.396 0.614 20 5 GCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178735038 1186744361 /nfs/dbraw/zinc/74/43/61/1186744361.db2.gz ZGTWAZFUCMMJPI-CHWSQXEVSA-N 1 2 393.469 0.377 20 5 GCBDLO CNC(=O)NC1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000583368791 1186837865 /nfs/dbraw/zinc/83/78/65/1186837865.db2.gz XAVONOOIQQZYLN-CQSZACIVSA-N 1 2 375.385 0.620 20 5 GCBDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000584113380 1187002360 /nfs/dbraw/zinc/00/23/60/1187002360.db2.gz OZUJBPPMWOZHDN-OAHLLOKOSA-N 1 2 379.442 0.847 20 5 GCBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584121860 1187003269 /nfs/dbraw/zinc/00/32/69/1187003269.db2.gz ADQSTTSRJBIRCO-LLVKDONJSA-N 1 2 381.414 0.591 20 5 GCBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584121860 1187003275 /nfs/dbraw/zinc/00/32/75/1187003275.db2.gz ADQSTTSRJBIRCO-LLVKDONJSA-N 1 2 381.414 0.591 20 5 GCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411605989 1187490723 /nfs/dbraw/zinc/49/07/23/1187490723.db2.gz RFIGNPOAINGINU-BBRMVZONSA-N 1 2 381.385 0.930 20 5 GCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411605989 1187490726 /nfs/dbraw/zinc/49/07/26/1187490726.db2.gz RFIGNPOAINGINU-BBRMVZONSA-N 1 2 381.385 0.930 20 5 GCBDLO 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C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)(N2CCOCC2)CC1 ZINC000412466678 1189628038 /nfs/dbraw/zinc/62/80/38/1189628038.db2.gz SMJKACWUSVPWNZ-UHFFFAOYSA-N 1 2 378.429 0.827 20 5 GCBDLO Cc1nc(C)n(C[C@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000544142092 1189902367 /nfs/dbraw/zinc/90/23/67/1189902367.db2.gz LVAZYBUGDYCNTR-JKSUJKDBSA-N 1 2 391.428 0.944 20 5 GCBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000544142092 1189902369 /nfs/dbraw/zinc/90/23/69/1189902369.db2.gz LVAZYBUGDYCNTR-JKSUJKDBSA-N 1 2 391.428 0.944 20 5 GCBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000429999711 1193924335 /nfs/dbraw/zinc/92/43/35/1193924335.db2.gz LHCHXOPPEKXBKT-ZDUSSCGKSA-N 1 2 376.369 0.482 20 5 GCBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000429999711 1193924336 /nfs/dbraw/zinc/92/43/36/1193924336.db2.gz LHCHXOPPEKXBKT-ZDUSSCGKSA-N 1 2 376.369 0.482 20 5 GCBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000429999709 1193924487 /nfs/dbraw/zinc/92/44/87/1193924487.db2.gz LHCHXOPPEKXBKT-CYBMUJFWSA-N 1 2 376.369 0.482 20 5 GCBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000429999709 1193924489 /nfs/dbraw/zinc/92/44/89/1193924489.db2.gz LHCHXOPPEKXBKT-CYBMUJFWSA-N 1 2 376.369 0.482 20 5 GCBDLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000047743257 1193989929 /nfs/dbraw/zinc/98/99/29/1193989929.db2.gz ZCYIOXVXTACPBP-UHFFFAOYSA-N 1 2 375.429 0.408 20 5 GCBDLO COCCn1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000421392910 1194334385 /nfs/dbraw/zinc/33/43/85/1194334385.db2.gz VVENHFWVAVPGJR-UHFFFAOYSA-N 1 2 397.457 0.848 20 5 GCBDLO COCCn1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000421392910 1194334393 /nfs/dbraw/zinc/33/43/93/1194334393.db2.gz VVENHFWVAVPGJR-UHFFFAOYSA-N 1 2 397.457 0.848 20 5 GCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CCn1cc[nH+]c1 ZINC000421975121 1194374940 /nfs/dbraw/zinc/37/49/40/1194374940.db2.gz DWGGQUUTAHBTAH-UHFFFAOYSA-N 1 2 381.414 0.618 20 5 GCBDLO CN(C(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000434711899 1194861423 /nfs/dbraw/zinc/86/14/23/1194861423.db2.gz SLPKPLBGFOWZKA-GOSISDBHSA-N 1 2 390.440 0.909 20 5 GCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505579257 1194879122 /nfs/dbraw/zinc/87/91/22/1194879122.db2.gz PJKGCXYGMSINQA-OAHLLOKOSA-N 1 2 397.391 0.888 20 5 GCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000536361082 1195748517 /nfs/dbraw/zinc/74/85/17/1195748517.db2.gz NRBQPUOTSRPJGZ-UHFFFAOYSA-N 1 2 375.385 0.858 20 5 GCBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000280837331 1195815438 /nfs/dbraw/zinc/81/54/38/1195815438.db2.gz UMGSKORDTYDPRZ-UHFFFAOYSA-N 1 2 393.425 0.933 20 5 GCBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000474002818 1195817806 /nfs/dbraw/zinc/81/78/06/1195817806.db2.gz WVPOODWMGNTEBR-KRWDZBQOSA-N 1 2 379.413 0.923 20 5 GCBDLO CC[C@H]1C[N@H+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427734140 1195873066 /nfs/dbraw/zinc/87/30/66/1195873066.db2.gz CBVCZUHBMUQJNO-AWEZNQCLSA-N 1 2 392.412 0.547 20 5 GCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427734140 1195873070 /nfs/dbraw/zinc/87/30/70/1195873070.db2.gz CBVCZUHBMUQJNO-AWEZNQCLSA-N 1 2 392.412 0.547 20 5 GCBDLO CC[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000428060600 1195906406 /nfs/dbraw/zinc/90/64/06/1195906406.db2.gz FDRJHQSWXYAJSX-GFCCVEGCSA-N 1 2 390.396 0.418 20 5 GCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000428060600 1195906407 /nfs/dbraw/zinc/90/64/07/1195906407.db2.gz FDRJHQSWXYAJSX-GFCCVEGCSA-N 1 2 390.396 0.418 20 5 GCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439096944 1196018048 /nfs/dbraw/zinc/01/80/48/1196018048.db2.gz IAJVDGHBVJZGNL-UHFFFAOYSA-N 1 2 382.384 0.697 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000267737800 1196154398 /nfs/dbraw/zinc/15/43/98/1196154398.db2.gz VGLIKDNFOXPOLW-OAHLLOKOSA-N 1 2 389.412 0.546 20 5 GCBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000281552757 1196308723 /nfs/dbraw/zinc/30/87/23/1196308723.db2.gz VUELTMRUGMPHHY-UHFFFAOYSA-N 1 2 380.401 0.723 20 5 GCBDLO NS(=O)(=O)c1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367649616 1196405303 /nfs/dbraw/zinc/40/53/03/1196405303.db2.gz VMZNHZOCRZUDOA-UHFFFAOYSA-N 1 2 379.398 0.705 20 5 GCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428360448 1196467253 /nfs/dbraw/zinc/46/72/53/1196467253.db2.gz BTRVHZDRRVPHIC-GFCCVEGCSA-N 1 2 393.425 0.591 20 5 GCBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)nc2c1 ZINC000444665271 1196513068 /nfs/dbraw/zinc/51/30/68/1196513068.db2.gz UAIRHHQQPPCETR-CABCVRRESA-N 1 2 395.441 0.059 20 5 GCBDLO Cc1cc(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000524163177 1196580223 /nfs/dbraw/zinc/58/02/23/1196580223.db2.gz ZVOQCCVDIIKVMP-UHFFFAOYSA-N 1 2 379.398 0.808 20 5 GCBDLO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000441080889 1196658923 /nfs/dbraw/zinc/65/89/23/1196658923.db2.gz QNQKKMYMMMVSIV-UHFFFAOYSA-N 1 2 392.412 0.925 20 5 GCBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000022593450 1196714779 /nfs/dbraw/zinc/71/47/79/1196714779.db2.gz XFFJEHJINKERAT-RHSMWYFYSA-N 1 2 392.456 0.619 20 5 GCBDLO Cn1c[nH+]cc1CCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000526972638 1196753412 /nfs/dbraw/zinc/75/34/12/1196753412.db2.gz REALQIZOIQOSOG-UHFFFAOYSA-N 1 2 395.441 0.893 20 5 GCBDLO CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448649849 1196822873 /nfs/dbraw/zinc/82/28/73/1196822873.db2.gz KENCVGBMPYUXFK-UHFFFAOYSA-N 1 2 386.412 0.674 20 5 GCBDLO CCOC(=O)CN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448808639 1196831577 /nfs/dbraw/zinc/83/15/77/1196831577.db2.gz DJAWIRQOLLWTCF-UHFFFAOYSA-N 1 2 375.341 0.271 20 5 GCBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000451974162 1197030489 /nfs/dbraw/zinc/03/04/89/1197030489.db2.gz IOVWGBWCJMSDTK-ZDUSSCGKSA-N 1 2 393.425 0.886 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531200755 1197052598 /nfs/dbraw/zinc/05/25/98/1197052598.db2.gz GUOQPXPLFJBZFM-OAHLLOKOSA-N 1 2 382.417 0.308 20 5 GCBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000475704048 1197176075 /nfs/dbraw/zinc/17/60/75/1197176075.db2.gz XUCCIIKDKNHMEA-GFCCVEGCSA-N 1 2 387.414 0.400 20 5 GCBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000475704048 1197176078 /nfs/dbraw/zinc/17/60/78/1197176078.db2.gz XUCCIIKDKNHMEA-GFCCVEGCSA-N 1 2 387.414 0.400 20 5 GCBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000269701692 1197270559 /nfs/dbraw/zinc/27/05/59/1197270559.db2.gz YNDZTNSAYAFDKT-LBPRGKRZSA-N 1 2 396.411 0.842 20 5 GCBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000269701692 1197270562 /nfs/dbraw/zinc/27/05/62/1197270562.db2.gz YNDZTNSAYAFDKT-LBPRGKRZSA-N 1 2 396.411 0.842 20 5 GCBDLO CCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000052051454 1197279562 /nfs/dbraw/zinc/27/95/62/1197279562.db2.gz QGQVOEUTHLCYDQ-UHFFFAOYSA-N 1 2 393.425 0.888 20 5 GCBDLO C[C@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000454557216 1197421700 /nfs/dbraw/zinc/42/17/00/1197421700.db2.gz ZVJUMTPLGDYMRG-GJZGRUSLSA-N 1 2 392.460 0.931 20 5 GCBDLO CNS(=O)(=O)c1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000273448981 1198999556 /nfs/dbraw/zinc/99/95/56/1198999556.db2.gz CUDGFRMDSHIICD-UHFFFAOYSA-N 1 2 392.441 0.928 20 5 GCBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)cc[nH+]1 ZINC000273505835 1199022026 /nfs/dbraw/zinc/02/20/26/1199022026.db2.gz PHHVNPFTCIOGQM-UHFFFAOYSA-N 1 2 378.414 0.667 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000265882448 1199852808 /nfs/dbraw/zinc/85/28/08/1199852808.db2.gz CDQDULXACVNWOG-ZDUSSCGKSA-N 1 2 393.444 0.085 20 5 GCBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331695350 1199874354 /nfs/dbraw/zinc/87/43/54/1199874354.db2.gz ULBDDNVYBMSCFK-CJNGLKHVSA-N 1 2 396.469 0.961 20 5 GCBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331695350 1199874357 /nfs/dbraw/zinc/87/43/57/1199874357.db2.gz ULBDDNVYBMSCFK-CJNGLKHVSA-N 1 2 396.469 0.961 20 5 GCBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000155914986 1199877184 /nfs/dbraw/zinc/87/71/84/1199877184.db2.gz MDOWKKNHVHPSLK-QGZVFWFLSA-N 1 2 383.470 0.823 20 5 GCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000578377049 1201081502 /nfs/dbraw/zinc/08/15/02/1201081502.db2.gz DYCYOXIEQRYEOQ-UHFFFAOYSA-N 1 2 378.433 0.588 20 5 GCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000578377049 1201081511 /nfs/dbraw/zinc/08/15/11/1201081511.db2.gz DYCYOXIEQRYEOQ-UHFFFAOYSA-N 1 2 378.433 0.588 20 5 GCBDLO Nc1nc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH+]c2ccccc12 ZINC000535721269 1201146710 /nfs/dbraw/zinc/14/67/10/1201146710.db2.gz UGSQMMMFDJUZEO-UHFFFAOYSA-N 1 2 388.409 0.933 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000731624152 1201491043 /nfs/dbraw/zinc/49/10/43/1201491043.db2.gz AABHSGVZOLEAMV-GFCCVEGCSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000731624152 1201491045 /nfs/dbraw/zinc/49/10/45/1201491045.db2.gz AABHSGVZOLEAMV-GFCCVEGCSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000731631892 1201492187 /nfs/dbraw/zinc/49/21/87/1201492187.db2.gz IWQYLCIKIAJUMD-LBPRGKRZSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000731631892 1201492193 /nfs/dbraw/zinc/49/21/93/1201492193.db2.gz IWQYLCIKIAJUMD-LBPRGKRZSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731649081 1201492992 /nfs/dbraw/zinc/49/29/92/1201492992.db2.gz XRIWJBUEPHWZLA-UHFFFAOYSA-N 1 2 385.442 0.842 20 5 GCBDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741779873 1201785619 /nfs/dbraw/zinc/78/56/19/1201785619.db2.gz WWBSLYAISGYSGJ-UHFFFAOYSA-N 1 2 376.413 0.692 20 5 GCBDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741779873 1201785623 /nfs/dbraw/zinc/78/56/23/1201785623.db2.gz WWBSLYAISGYSGJ-UHFFFAOYSA-N 1 2 376.413 0.692 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746469057 1201925300 /nfs/dbraw/zinc/92/53/00/1201925300.db2.gz KGXHUUQPWDQEGB-JGTBNHKDSA-N 1 2 398.485 0.927 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767522587 1201976392 /nfs/dbraw/zinc/97/63/92/1201976392.db2.gz LCRGSOQLPHSSGQ-IYBDPMFKSA-N 1 2 392.412 0.800 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767522587 1201976393 /nfs/dbraw/zinc/97/63/93/1201976393.db2.gz LCRGSOQLPHSSGQ-IYBDPMFKSA-N 1 2 392.412 0.800 20 5 GCBDLO NS(=O)(=O)c1ccc(NCCC(=O)OCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000771896253 1202169164 /nfs/dbraw/zinc/16/91/64/1202169164.db2.gz MEAYAFVJLZSTSY-UHFFFAOYSA-N 1 2 383.386 0.484 20 5 GCBDLO CN(C)c1nc(N)nc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000791312912 1205476367 /nfs/dbraw/zinc/47/63/67/1205476367.db2.gz ZTJRWGGMWDSKNT-UHFFFAOYSA-N 1 2 384.356 0.971 20 5 GCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000805473643 1205536665 /nfs/dbraw/zinc/53/66/65/1205536665.db2.gz XHUOYJASQGSVEV-AWEZNQCLSA-N 1 2 381.341 0.526 20 5 GCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000805473643 1205536667 /nfs/dbraw/zinc/53/66/67/1205536667.db2.gz XHUOYJASQGSVEV-AWEZNQCLSA-N 1 2 381.341 0.526 20 5 GCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000805473647 1205536844 /nfs/dbraw/zinc/53/68/44/1205536844.db2.gz XHUOYJASQGSVEV-CQSZACIVSA-N 1 2 381.341 0.526 20 5 GCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000805473647 1205536845 /nfs/dbraw/zinc/53/68/45/1205536845.db2.gz XHUOYJASQGSVEV-CQSZACIVSA-N 1 2 381.341 0.526 20 5 GCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000807282220 1205577748 /nfs/dbraw/zinc/57/77/48/1205577748.db2.gz GUZGVIBESFFZLU-AWEZNQCLSA-N 1 2 389.368 0.269 20 5 GCBDLO O=C1[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C1CCOCC1 ZINC000747530551 1205613134 /nfs/dbraw/zinc/61/31/34/1205613134.db2.gz PPHROMNTTDNMHD-MRXNPFEDSA-N 1 2 375.429 0.892 20 5 GCBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809459752 1205625937 /nfs/dbraw/zinc/62/59/37/1205625937.db2.gz BYZXKHCLADIBHR-CQSZACIVSA-N 1 2 398.423 0.571 20 5 GCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CCO[C@H](CO)C2)CC1 ZINC001173697306 1205726577 /nfs/dbraw/zinc/72/65/77/1205726577.db2.gz QGJJEGZORLNSAD-AWEZNQCLSA-N 1 2 385.442 0.441 20 5 GCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CCO[C@H](CO)C2)CC1 ZINC001173697306 1205726579 /nfs/dbraw/zinc/72/65/79/1205726579.db2.gz QGJJEGZORLNSAD-AWEZNQCLSA-N 1 2 385.442 0.441 20 5 GCBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001178205026 1205783901 /nfs/dbraw/zinc/78/39/01/1205783901.db2.gz WIDMPKDYQVDKJB-OAHLLOKOSA-N 1 2 378.429 0.860 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001164698374 719851396 /nfs/dbraw/zinc/85/13/96/719851396.db2.gz BUYVDQNKWACCEW-CXAGYDPISA-N 1 2 379.417 0.926 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164720004 720212612 /nfs/dbraw/zinc/21/26/12/720212612.db2.gz VCUMYNTVBHDGMZ-MRXNPFEDSA-N 1 2 398.851 0.703 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164720004 720212618 /nfs/dbraw/zinc/21/26/18/720212618.db2.gz VCUMYNTVBHDGMZ-MRXNPFEDSA-N 1 2 398.851 0.703 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164719369 720241931 /nfs/dbraw/zinc/24/19/31/720241931.db2.gz LNAHCRMEBONKKB-QGZVFWFLSA-N 1 2 378.433 0.358 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164719369 720241943 /nfs/dbraw/zinc/24/19/43/720241943.db2.gz LNAHCRMEBONKKB-QGZVFWFLSA-N 1 2 378.433 0.358 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000146744657 530304933 /nfs/dbraw/zinc/30/49/33/530304933.db2.gz AOEJPHIJAVFKPT-UHFFFAOYSA-N 1 2 390.849 0.737 20 5 GCBDLO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCC[NH+]1CCSCC1)OCCO2 ZINC000264838442 530466249 /nfs/dbraw/zinc/46/62/49/530466249.db2.gz HXRLHMNQILBSIF-UHFFFAOYSA-N 1 2 389.455 0.693 20 5 GCBDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000291035188 530484097 /nfs/dbraw/zinc/48/40/97/530484097.db2.gz AFDXBPDOCUJUCM-UHFFFAOYSA-N 1 2 376.410 0.761 20 5 GCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000276267235 530910568 /nfs/dbraw/zinc/91/05/68/530910568.db2.gz VCGJNJZNDGIAIE-UHFFFAOYSA-N 1 2 389.455 0.709 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000459703930 530883993 /nfs/dbraw/zinc/88/39/93/530883993.db2.gz LSIXFNBEVGPNTE-CABZTGNLSA-N 1 2 378.166 0.984 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000459703930 530883995 /nfs/dbraw/zinc/88/39/95/530883995.db2.gz LSIXFNBEVGPNTE-CABZTGNLSA-N 1 2 378.166 0.984 20 5 GCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000270943480 530888438 /nfs/dbraw/zinc/88/84/38/530888438.db2.gz KDSWZWGLSNSKAC-JTQLQIEISA-N 1 2 375.223 0.882 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000275009997 530942675 /nfs/dbraw/zinc/94/26/75/530942675.db2.gz MWEYHOHFTVMVEN-UHFFFAOYSA-N 1 2 377.394 0.743 20 5 GCBDLO CN1CC[NH+](C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863521 598337364 /nfs/dbraw/zinc/33/73/64/598337364.db2.gz LKYDAIHFUAHPRK-AWEZNQCLSA-N 1 2 388.432 0.228 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000823647643 599418249 /nfs/dbraw/zinc/41/82/49/599418249.db2.gz NSZBBLGDJPFWSK-UHFFFAOYSA-N 1 2 393.385 0.436 20 5 GCBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825458731 607612758 /nfs/dbraw/zinc/61/27/58/607612758.db2.gz DXHHQCBLJRKTRN-LLVKDONJSA-N 1 2 395.445 0.928 20 5 GCBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825458731 607612760 /nfs/dbraw/zinc/61/27/60/607612760.db2.gz DXHHQCBLJRKTRN-LLVKDONJSA-N 1 2 395.445 0.928 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1-c1nn[nH]n1 ZINC000823647611 606735769 /nfs/dbraw/zinc/73/57/69/606735769.db2.gz NDHODBSFUSEQBL-UHFFFAOYSA-N 1 2 393.429 0.634 20 5 GCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826366758 608327287 /nfs/dbraw/zinc/32/72/87/608327287.db2.gz WEABFBOTVLPDAO-UHFFFAOYSA-N 1 2 397.399 0.466 20 5 GCBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824991422 608563346 /nfs/dbraw/zinc/56/33/46/608563346.db2.gz AWVBFZFHKUENRW-NXEZZACHSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824991422 608563347 /nfs/dbraw/zinc/56/33/47/608563347.db2.gz AWVBFZFHKUENRW-NXEZZACHSA-N 1 2 381.418 0.488 20 5 GCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816790 641712663 /nfs/dbraw/zinc/71/26/63/641712663.db2.gz PBXDGIQQFBHOKZ-VIFPVBQESA-N 1 2 380.829 0.911 20 5 GCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816790 641712673 /nfs/dbraw/zinc/71/26/73/641712673.db2.gz PBXDGIQQFBHOKZ-VIFPVBQESA-N 1 2 380.829 0.911 20 5 GCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279027457 1192441816 /nfs/dbraw/zinc/44/18/16/1192441816.db2.gz AEEXNZBMQLVOAU-AWEZNQCLSA-N 1 2 378.429 0.894 20 5 GCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279043285 1192443969 /nfs/dbraw/zinc/44/39/69/1192443969.db2.gz BVCAUBSFMQAZAZ-KBPBESRZSA-N 1 2 378.429 0.892 20 5 GCBDLO O=C(NCCCCN1CC[NH+](CCO)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000432532768 1192536376 /nfs/dbraw/zinc/53/63/76/1192536376.db2.gz YOQAKAVUXLAMNK-UHFFFAOYSA-N 1 2 390.444 0.591 20 5 GCBDLO Cc1cc(C(=O)NCC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000279407001 1192536785 /nfs/dbraw/zinc/53/67/85/1192536785.db2.gz WPSJCRBBZLBCLF-CQSZACIVSA-N 1 2 378.429 0.812 20 5 GCBDLO CN1CCN(C(=O)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000279756183 1192598068 /nfs/dbraw/zinc/59/80/68/1192598068.db2.gz QQKPPUPRCNCEGW-UHFFFAOYSA-N 1 2 375.429 0.370 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000784919879 1184180303 /nfs/dbraw/zinc/18/03/03/1184180303.db2.gz XGDCFJZXAZJUQC-CYBMUJFWSA-N 1 2 380.401 0.658 20 5 GCBDLO O=C(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274975989 1184445384 /nfs/dbraw/zinc/44/53/84/1184445384.db2.gz OMDFSMDTRQLKFV-UHFFFAOYSA-N 1 2 399.407 0.770 20 5 GCBDLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275497218 1184689989 /nfs/dbraw/zinc/68/99/89/1184689989.db2.gz QMGQZWQYGVTUFW-UHFFFAOYSA-N 1 2 381.408 0.944 20 5 GCBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000559451109 1184712416 /nfs/dbraw/zinc/71/24/16/1184712416.db2.gz PXEFUBYUJONUPL-JKSUJKDBSA-N 1 2 393.440 0.909 20 5 GCBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049934914 1185059181 /nfs/dbraw/zinc/05/91/81/1185059181.db2.gz GMFPJFXQLODCAG-UHFFFAOYSA-N 1 2 395.375 0.935 20 5 GCBDLO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000262002455 1185303693 /nfs/dbraw/zinc/30/36/93/1185303693.db2.gz LLHDEJLBQZUBIO-ZDUSSCGKSA-N 1 2 381.414 0.672 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000275946184 1185333373 /nfs/dbraw/zinc/33/33/73/1185333373.db2.gz PZUVDWZFKMZXHY-GFCCVEGCSA-N 1 2 392.412 0.938 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000275946184 1185333376 /nfs/dbraw/zinc/33/33/76/1185333376.db2.gz PZUVDWZFKMZXHY-GFCCVEGCSA-N 1 2 392.412 0.938 20 5 GCBDLO O=C1C[C@@H]([NH+]2CCC(N3CCNC3=O)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000050784558 1185518759 /nfs/dbraw/zinc/51/87/59/1185518759.db2.gz NMMULFDQJYGIIO-OAHLLOKOSA-N 1 2 387.396 0.716 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000510373542 1185564791 /nfs/dbraw/zinc/56/47/91/1185564791.db2.gz LFZZPJHWPNJPTP-CYBMUJFWSA-N 1 2 387.462 0.544 20 5 GCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610733302 1185849198 /nfs/dbraw/zinc/84/91/98/1185849198.db2.gz LZPVLDPKGDKCDZ-KBPBESRZSA-N 1 2 380.449 0.760 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000276907476 1186143781 /nfs/dbraw/zinc/14/37/81/1186143781.db2.gz MSUYTVICZFALSS-UHFFFAOYSA-N 1 2 384.458 0.700 20 5 GCBDLO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000263025945 1186338042 /nfs/dbraw/zinc/33/80/42/1186338042.db2.gz RJRMJFMOKBRDFB-LLVKDONJSA-N 1 2 392.384 0.524 20 5 GCBDLO Cn1c[nH+]cc1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000291500920 1186355698 /nfs/dbraw/zinc/35/56/98/1186355698.db2.gz SATRKMNDNBJEBG-UHFFFAOYSA-N 1 2 382.402 0.094 20 5 GCBDLO CC(=O)N1CCN(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000071957985 1186366597 /nfs/dbraw/zinc/36/65/97/1186366597.db2.gz PEQMUKKSXJNINB-UHFFFAOYSA-N 1 2 386.412 0.674 20 5 GCBDLO C[C@](O)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C[NH+]1CCOCC1 ZINC000478560026 1186520959 /nfs/dbraw/zinc/52/09/59/1186520959.db2.gz YIKQMVIUCLHUPQ-SFHVURJKSA-N 1 2 389.412 0.594 20 5 GCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178735069 1186744408 /nfs/dbraw/zinc/74/44/08/1186744408.db2.gz ZGTWAZFUCMMJPI-STQMWFEESA-N 1 2 393.469 0.377 20 5 GCBDLO O=[N+]([O-])c1ccc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000052100347 1186769748 /nfs/dbraw/zinc/76/97/48/1186769748.db2.gz UOPCASDIMVEAND-UHFFFAOYSA-N 1 2 392.441 0.949 20 5 GCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278808626 1187996414 /nfs/dbraw/zinc/99/64/14/1187996414.db2.gz YKFUALPTYKWTBW-ZDUSSCGKSA-N 1 2 392.416 0.306 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416586250 1189556351 /nfs/dbraw/zinc/55/63/51/1189556351.db2.gz OTFHCYDDPSFVDZ-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416586250 1189556352 /nfs/dbraw/zinc/55/63/52/1189556352.db2.gz OTFHCYDDPSFVDZ-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[N@H+](C)C1 ZINC000416590059 1189557338 /nfs/dbraw/zinc/55/73/38/1189557338.db2.gz SGGBHHXPVZSEAD-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000416590059 1189557341 /nfs/dbraw/zinc/55/73/41/1189557341.db2.gz SGGBHHXPVZSEAD-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO CC[NH+](CC)Cc1nc(C2(NC(=O)Cn3cnc([N+](=O)[O-])n3)CCCC2)no1 ZINC000124226655 1189894234 /nfs/dbraw/zinc/89/42/34/1189894234.db2.gz JZYAPWUEXYRSSH-UHFFFAOYSA-N 1 2 392.420 0.997 20 5 GCBDLO Cc1nc2[nH]ccc2c(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000433783481 1193946752 /nfs/dbraw/zinc/94/67/52/1193946752.db2.gz OPVUWSVHMUOTSX-UHFFFAOYSA-N 1 2 376.398 1.565 20 5 GCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413965503 1194366994 /nfs/dbraw/zinc/36/69/94/1194366994.db2.gz HQUGRKMBZODIRU-CYBMUJFWSA-N 1 2 378.429 0.940 20 5 GCBDLO O=C(NCC[NH+]1CCC1)c1ccc(C(=O)NCCN2CCC2)c([N+](=O)[O-])c1 ZINC000505404776 1194837105 /nfs/dbraw/zinc/83/71/05/1194837105.db2.gz IRTHEMJPOIBCJR-UHFFFAOYSA-N 1 2 375.429 0.466 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505523543 1194870674 /nfs/dbraw/zinc/87/06/74/1194870674.db2.gz JQYAQGOEIOCCHG-QGZVFWFLSA-N 1 2 398.423 0.962 20 5 GCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983669 1194881717 /nfs/dbraw/zinc/88/17/17/1194881717.db2.gz WCZMMRVWVRYBCH-IRXDYDNUSA-N 1 2 378.429 0.325 20 5 GCBDLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1=O ZINC000436747885 1195033333 /nfs/dbraw/zinc/03/33/33/1195033333.db2.gz PLBQSFMUNHMABV-LBPRGKRZSA-N 1 2 380.401 0.209 20 5 GCBDLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1=O ZINC000436747885 1195033338 /nfs/dbraw/zinc/03/33/38/1195033338.db2.gz PLBQSFMUNHMABV-LBPRGKRZSA-N 1 2 380.401 0.209 20 5 GCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522130273 1196046317 /nfs/dbraw/zinc/04/63/17/1196046317.db2.gz PBAAHQNUCDQQDT-UHFFFAOYSA-N 1 2 386.412 0.797 20 5 GCBDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556938 1196141118 /nfs/dbraw/zinc/14/11/18/1196141118.db2.gz HIDNCNYJFHBUHW-HUUCEWRRSA-N 1 2 389.456 0.829 20 5 GCBDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556944 1196141241 /nfs/dbraw/zinc/14/12/41/1196141241.db2.gz HIDNCNYJFHBUHW-CABCVRRESA-N 1 2 389.456 0.829 20 5 GCBDLO Cc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267736023 1196153724 /nfs/dbraw/zinc/15/37/24/1196153724.db2.gz UXPUWUAOGZBZPQ-CYBMUJFWSA-N 1 2 382.373 0.577 20 5 GCBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCn1cc[nH+]c1 ZINC000025673550 1196190979 /nfs/dbraw/zinc/19/09/79/1196190979.db2.gz YUWUGWSREKRLKG-UHFFFAOYSA-N 1 2 381.414 0.924 20 5 GCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCCn1cc[nH+]c1 ZINC000143097655 1196304270 /nfs/dbraw/zinc/30/42/70/1196304270.db2.gz GESDNLLNFVOTTO-UHFFFAOYSA-N 1 2 381.414 0.666 20 5 GCBDLO Cn1c(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000523315217 1196514214 /nfs/dbraw/zinc/51/42/14/1196514214.db2.gz SZUPBEBIDMOTPT-UHFFFAOYSA-N 1 2 386.412 0.797 20 5 GCBDLO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000525339270 1196673608 /nfs/dbraw/zinc/67/36/08/1196673608.db2.gz DGSFFUNDMGFEEZ-UHFFFAOYSA-N 1 2 397.395 0.898 20 5 GCBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)c1C ZINC000447700982 1196741928 /nfs/dbraw/zinc/74/19/28/1196741928.db2.gz OVUGSYCDUWJQOT-UHFFFAOYSA-N 1 2 386.372 1.241 20 5 GCBDLO O=C(Cn1cccc([N+](=O)[O-])c1=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000102204472 1197096293 /nfs/dbraw/zinc/09/62/93/1197096293.db2.gz WFQSYASUXXCQMW-UHFFFAOYSA-N 1 2 386.408 0.905 20 5 GCBDLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000026162178 1197150644 /nfs/dbraw/zinc/15/06/44/1197150644.db2.gz WYMABJICVUJFLP-UHFFFAOYSA-N 1 2 377.426 0.959 20 5 GCBDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026192180 1197208791 /nfs/dbraw/zinc/20/87/91/1197208791.db2.gz QWELZYVEAYYSGR-CQSZACIVSA-N 1 2 389.456 0.829 20 5 GCBDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596740 1197248471 /nfs/dbraw/zinc/24/84/71/1197248471.db2.gz YPDDNEUYVKJPDD-CYBMUJFWSA-N 1 2 390.444 0.224 20 5 GCBDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273590210 1199035671 /nfs/dbraw/zinc/03/56/71/1199035671.db2.gz IVCZWSGXLSHOSG-CYBMUJFWSA-N 1 2 385.442 0.994 20 5 GCBDLO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(-n2cnnn2)c1 ZINC000766063862 1200298051 /nfs/dbraw/zinc/29/80/51/1200298051.db2.gz DYRPPRBLYSFHGT-UHFFFAOYSA-N 1 2 398.401 0.001 20 5 GCBDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000611285346 1201228737 /nfs/dbraw/zinc/22/87/37/1201228737.db2.gz GFWJGHLAFXLPCK-ZDUSSCGKSA-N 1 2 376.369 0.834 20 5 GCBDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000611285346 1201228740 /nfs/dbraw/zinc/22/87/40/1201228740.db2.gz GFWJGHLAFXLPCK-ZDUSSCGKSA-N 1 2 376.369 0.834 20 5 GCBDLO Cn1cc(C[NH+]2CCN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)cn1 ZINC000729988810 1201423745 /nfs/dbraw/zinc/42/37/45/1201423745.db2.gz OAPUAEVEPNWWIY-UHFFFAOYSA-N 1 2 384.396 0.700 20 5 GCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000731650209 1201492933 /nfs/dbraw/zinc/49/29/33/1201492933.db2.gz JPWYARKKXKYEDG-UHFFFAOYSA-N 1 2 384.458 0.632 20 5 GCBDLO COc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000731650226 1201493097 /nfs/dbraw/zinc/49/30/97/1201493097.db2.gz KVKUTZZWSFAIMR-UHFFFAOYSA-N 1 2 385.442 0.842 20 5 GCBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731663685 1201494563 /nfs/dbraw/zinc/49/45/63/1201494563.db2.gz OOPFKRWUPXRNCC-UHFFFAOYSA-N 1 2 384.458 0.875 20 5 GCBDLO COc1ccc(NC(=O)CCN2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000746471749 1201926940 /nfs/dbraw/zinc/92/69/40/1201926940.db2.gz BXRYJTOKXMUOGB-MHZLTWQESA-N 1 2 398.485 0.928 20 5 GCBDLO CNc1ccc(S(=O)(=O)NCC(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000787561754 1205393448 /nfs/dbraw/zinc/39/34/48/1205393448.db2.gz BMHCQUVNDYVREP-UHFFFAOYSA-N 1 2 395.397 0.635 20 5 GCBDLO CN(CC(=O)OCc1cc[nH+]c(N)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000791916363 1205482206 /nfs/dbraw/zinc/48/22/06/1205482206.db2.gz LTTCGUGQZSVSRO-UHFFFAOYSA-N 1 2 380.382 0.936 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000807284620 1205578236 /nfs/dbraw/zinc/57/82/36/1205578236.db2.gz OUAPOVPDTMVQLV-CYBMUJFWSA-N 1 2 391.340 0.990 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001164703689 719860834 /nfs/dbraw/zinc/86/08/34/719860834.db2.gz QJOSZQPUOKKZDK-KSSFIOAISA-N 1 2 394.428 0.769 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001164718673 720244152 /nfs/dbraw/zinc/24/41/52/720244152.db2.gz GNWKGTIOPCPUHF-SFHVURJKSA-N 1 2 393.444 0.663 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001164718673 720244158 /nfs/dbraw/zinc/24/41/58/720244158.db2.gz GNWKGTIOPCPUHF-SFHVURJKSA-N 1 2 393.444 0.663 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000614551107 530309673 /nfs/dbraw/zinc/30/96/73/530309673.db2.gz YRVNLKDTRYBEKV-NOZJJQNGSA-N 1 2 377.394 0.740 20 5 GCBDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)S1 ZINC000267217409 530573347 /nfs/dbraw/zinc/57/33/47/530573347.db2.gz MZHGJUZCHGBLRG-SNVBAGLBSA-N 1 2 385.471 0.856 20 5 GCBDLO C[N@H+](CCCCS(C)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477954 530716129 /nfs/dbraw/zinc/71/61/29/530716129.db2.gz LNPXRPPPYQNVAY-UHFFFAOYSA-N 1 2 393.487 0.630 20 5 GCBDLO C[N@@H+](CCCCS(C)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477954 530716132 /nfs/dbraw/zinc/71/61/32/530716132.db2.gz LNPXRPPPYQNVAY-UHFFFAOYSA-N 1 2 393.487 0.630 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC000459703932 530884307 /nfs/dbraw/zinc/88/43/07/530884307.db2.gz LSIXFNBEVGPNTE-SKDRFNHKSA-N 1 2 378.166 0.984 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC000459703932 530884311 /nfs/dbraw/zinc/88/43/11/530884311.db2.gz LSIXFNBEVGPNTE-SKDRFNHKSA-N 1 2 378.166 0.984 20 5 GCBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000604408794 530938014 /nfs/dbraw/zinc/93/80/14/530938014.db2.gz PLAAYKNMZKIVSO-UHFFFAOYSA-N 1 2 375.476 0.271 20 5 GCBDLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000275024501 530995861 /nfs/dbraw/zinc/99/58/61/530995861.db2.gz NIPUHRAMECBDRG-CQSZACIVSA-N 1 2 389.499 0.933 20 5 GCBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737161682 598591996 /nfs/dbraw/zinc/59/19/96/598591996.db2.gz CDRJYJDRCUMAEU-UHFFFAOYSA-N 1 2 396.433 0.091 20 5 GCBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824991425 608563391 /nfs/dbraw/zinc/56/33/91/608563391.db2.gz AWVBFZFHKUENRW-UWVGGRQHSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824991425 608563392 /nfs/dbraw/zinc/56/33/92/608563392.db2.gz AWVBFZFHKUENRW-UWVGGRQHSA-N 1 2 381.418 0.488 20 5 GCBDLO NC(=O)[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000066940236 1192277449 /nfs/dbraw/zinc/27/74/49/1192277449.db2.gz IJGZCPMZABRUMV-HNNXBMFYSA-N 1 2 396.400 0.828 20 5 GCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279043294 1192444091 /nfs/dbraw/zinc/44/40/91/1192444091.db2.gz BVCAUBSFMQAZAZ-ZIAGYGMSSA-N 1 2 378.429 0.892 20 5 GCBDLO CN(C)c1cc(F)c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279466963 1192544138 /nfs/dbraw/zinc/54/41/38/1192544138.db2.gz PMQGCWACEXVYNQ-LBPRGKRZSA-N 1 2 384.408 0.565 20 5 GCBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000473338934 1192869393 /nfs/dbraw/zinc/86/93/93/1192869393.db2.gz HOOWJMMWQZTTIY-GFCCVEGCSA-N 1 2 380.376 0.853 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000784915083 1184156868 /nfs/dbraw/zinc/15/68/68/1184156868.db2.gz TVMHZZIGCUNQFU-LLVKDONJSA-N 1 2 377.353 0.455 20 5 GCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000784916991 1184162269 /nfs/dbraw/zinc/16/22/69/1184162269.db2.gz ADMRTERFAKIKDJ-LBPRGKRZSA-N 1 2 379.369 0.584 20 5 GCBDLO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000275066389 1184487883 /nfs/dbraw/zinc/48/78/83/1184487883.db2.gz XPUJJSJVWWXREK-AWEZNQCLSA-N 1 2 398.485 0.882 20 5 GCBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000275070619 1184491497 /nfs/dbraw/zinc/49/14/97/1184491497.db2.gz ZJCLULHTAITJJP-LBPRGKRZSA-N 1 2 388.446 0.280 20 5 GCBDLO CC(C)(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000049984669 1185092149 /nfs/dbraw/zinc/09/21/49/1185092149.db2.gz QOTSULPNFZNYNM-UHFFFAOYSA-N 1 2 378.429 0.942 20 5 GCBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548091256 1185219918 /nfs/dbraw/zinc/21/99/18/1185219918.db2.gz CPMRFVOOJLXVCJ-ZDUSSCGKSA-N 1 2 385.428 0.908 20 5 GCBDLO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000262002454 1185304141 /nfs/dbraw/zinc/30/41/41/1185304141.db2.gz LLHDEJLBQZUBIO-CYBMUJFWSA-N 1 2 381.414 0.672 20 5 GCBDLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580880729 1185402074 /nfs/dbraw/zinc/40/20/74/1185402074.db2.gz LDIABFQMNQPGDH-UHFFFAOYSA-N 1 2 387.400 0.041 20 5 GCBDLO Cc1cc(OCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000430533074 1185487886 /nfs/dbraw/zinc/48/78/86/1185487886.db2.gz TUGQMHMIMDQGPB-UHFFFAOYSA-N 1 2 389.412 1.449 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000262242629 1185711145 /nfs/dbraw/zinc/71/11/45/1185711145.db2.gz HXWHVUWSZNHPCI-UHFFFAOYSA-N 1 2 392.441 0.858 20 5 GCBDLO CCN1C(=O)[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000610584185 1186052113 /nfs/dbraw/zinc/05/21/13/1186052113.db2.gz BQBNACBMTRVOGO-OAHLLOKOSA-N 1 2 398.379 0.889 20 5 GCBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000581994950 1186171647 /nfs/dbraw/zinc/17/16/47/1186171647.db2.gz ZGVFPFACJURFSJ-UHFFFAOYSA-N 1 2 389.393 0.837 20 5 GCBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000277901837 1186677474 /nfs/dbraw/zinc/67/74/74/1186677474.db2.gz FGJIKKHZCFIIMU-CQSZACIVSA-N 1 2 376.413 0.566 20 5 GCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178735059 1186744295 /nfs/dbraw/zinc/74/42/95/1186744295.db2.gz ZGTWAZFUCMMJPI-QWHCGFSZSA-N 1 2 393.469 0.377 20 5 GCBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278067237 1186766311 /nfs/dbraw/zinc/76/63/11/1186766311.db2.gz GBPCYCLQLXVQGR-YOEHRIQHSA-N 1 2 381.429 0.903 20 5 GCBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278067237 1186766312 /nfs/dbraw/zinc/76/63/12/1186766312.db2.gz GBPCYCLQLXVQGR-YOEHRIQHSA-N 1 2 381.429 0.903 20 5 GCBDLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844708 1187005931 /nfs/dbraw/zinc/00/59/31/1187005931.db2.gz WNAFYKVBKGHISG-GJZGRUSLSA-N 1 2 389.456 0.829 20 5 GCBDLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844710 1187006283 /nfs/dbraw/zinc/00/62/83/1187006283.db2.gz WNAFYKVBKGHISG-LSDHHAIUSA-N 1 2 389.456 0.829 20 5 GCBDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844709 1187006767 /nfs/dbraw/zinc/00/67/67/1187006767.db2.gz WNAFYKVBKGHISG-CABCVRRESA-N 1 2 389.456 0.829 20 5 GCBDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000289955249 1187070801 /nfs/dbraw/zinc/07/08/01/1187070801.db2.gz DQFZMAQAJIEAHJ-UHFFFAOYSA-N 1 2 375.341 0.745 20 5 GCBDLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611871387 1187072151 /nfs/dbraw/zinc/07/21/51/1187072151.db2.gz GDXQVVLJKFAXBC-AWEZNQCLSA-N 1 2 392.412 0.865 20 5 GCBDLO COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000363670782 1187145045 /nfs/dbraw/zinc/14/50/45/1187145045.db2.gz HDQFFPNVFJQKEZ-CQSZACIVSA-N 1 2 392.412 0.266 20 5 GCBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411605998 1187490921 /nfs/dbraw/zinc/49/09/21/1187490921.db2.gz RFIGNPOAINGINU-XJKSGUPXSA-N 1 2 381.385 0.930 20 5 GCBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411605998 1187490923 /nfs/dbraw/zinc/49/09/23/1187490923.db2.gz RFIGNPOAINGINU-XJKSGUPXSA-N 1 2 381.385 0.930 20 5 GCBDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000411724435 1187507376 /nfs/dbraw/zinc/50/73/76/1187507376.db2.gz DHBZWAVMSPIBEM-UHFFFAOYSA-N 1 2 394.428 0.647 20 5 GCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066360110 1187673512 /nfs/dbraw/zinc/67/35/12/1187673512.db2.gz WCIDAXAYWJYGKD-LBPRGKRZSA-N 1 2 396.429 0.458 20 5 GCBDLO CNS(=O)(=O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000377630188 1188090417 /nfs/dbraw/zinc/09/04/17/1188090417.db2.gz WASBMWPMSZLUIB-HNNXBMFYSA-N 1 2 382.442 0.714 20 5 GCBDLO CNS(=O)(=O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000377630189 1188090657 /nfs/dbraw/zinc/09/06/57/1188090657.db2.gz WASBMWPMSZLUIB-OAHLLOKOSA-N 1 2 382.442 0.714 20 5 GCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000378563982 1189536113 /nfs/dbraw/zinc/53/61/13/1189536113.db2.gz BRQDDCHGUKAQAR-UHFFFAOYSA-N 1 2 378.433 0.820 20 5 GCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000378563982 1189536120 /nfs/dbraw/zinc/53/61/20/1189536120.db2.gz BRQDDCHGUKAQAR-UHFFFAOYSA-N 1 2 378.433 0.820 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000416575687 1189554226 /nfs/dbraw/zinc/55/42/26/1189554226.db2.gz BNDSUKOMURWFBB-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000416575687 1189554231 /nfs/dbraw/zinc/55/42/31/1189554231.db2.gz BNDSUKOMURWFBB-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[N@H+](C)C1 ZINC000416582205 1189555961 /nfs/dbraw/zinc/55/59/61/1189555961.db2.gz KDARSMNNXXCXAN-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000416582205 1189555963 /nfs/dbraw/zinc/55/59/63/1189555963.db2.gz KDARSMNNXXCXAN-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[N@H+](C)C1 ZINC000416596952 1189559467 /nfs/dbraw/zinc/55/94/67/1189559467.db2.gz YPWWISMTFNWGTB-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[N@@H+](C)C1 ZINC000416596952 1189559468 /nfs/dbraw/zinc/55/94/68/1189559468.db2.gz YPWWISMTFNWGTB-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617783 1189647576 /nfs/dbraw/zinc/64/75/76/1189647576.db2.gz NYBFZROHNNCLKA-WFASDCNBSA-N 1 2 382.442 0.701 20 5 GCBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617783 1189647579 /nfs/dbraw/zinc/64/75/79/1189647579.db2.gz NYBFZROHNNCLKA-WFASDCNBSA-N 1 2 382.442 0.701 20 5 GCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000500988769 1194020247 /nfs/dbraw/zinc/02/02/47/1194020247.db2.gz LQTLWKVEFFCFFS-UHFFFAOYSA-N 1 2 389.412 0.969 20 5 GCBDLO CCOC(=O)c1ccnc(N2CC[NH+](C(COC)COC)CC2)c1[N+](=O)[O-] ZINC000413477747 1194267895 /nfs/dbraw/zinc/26/78/95/1194267895.db2.gz QLTTYLAUBOXOIX-UHFFFAOYSA-N 1 2 382.417 0.950 20 5 GCBDLO CC(C)N1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420979555 1194281441 /nfs/dbraw/zinc/28/14/41/1194281441.db2.gz ZIJGWYHVANKZPJ-OAHLLOKOSA-N 1 2 384.458 0.814 20 5 GCBDLO CC(C)N1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420979555 1194281444 /nfs/dbraw/zinc/28/14/44/1194281444.db2.gz ZIJGWYHVANKZPJ-OAHLLOKOSA-N 1 2 384.458 0.814 20 5 GCBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000413965524 1194367193 /nfs/dbraw/zinc/36/71/93/1194367193.db2.gz HVDIQPYHHYJCOJ-UHFFFAOYSA-N 1 2 393.444 0.621 20 5 GCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]cn1C ZINC000422208149 1194590835 /nfs/dbraw/zinc/59/08/35/1194590835.db2.gz SFYOFIWYVOSNNB-UHFFFAOYSA-N 1 2 396.429 0.448 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424504880 1194818830 /nfs/dbraw/zinc/81/88/30/1194818830.db2.gz KCNXQBWLGBESGH-NSHDSACASA-N 1 2 386.355 0.581 20 5 GCBDLO COc1ccc(CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000424506161 1194819190 /nfs/dbraw/zinc/81/91/90/1194819190.db2.gz LXKVOUNJAWDRNJ-LLVKDONJSA-N 1 2 386.355 0.581 20 5 GCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000517836931 1195224005 /nfs/dbraw/zinc/22/40/05/1195224005.db2.gz LRUGABQVFXVLBA-ZDUSSCGKSA-N 1 2 379.417 0.231 20 5 GCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000517836931 1195224010 /nfs/dbraw/zinc/22/40/10/1195224010.db2.gz LRUGABQVFXVLBA-ZDUSSCGKSA-N 1 2 379.417 0.231 20 5 GCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517953370 1195232282 /nfs/dbraw/zinc/23/22/82/1195232282.db2.gz XDUBTCHGDZAEIA-GFCCVEGCSA-N 1 2 381.414 0.665 20 5 GCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000579216153 1195611751 /nfs/dbraw/zinc/61/17/51/1195611751.db2.gz OUGAWDQHEVHOLX-UHFFFAOYSA-N 1 2 383.372 0.211 20 5 GCBDLO NS(=O)(=O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000442957551 1196013377 /nfs/dbraw/zinc/01/33/77/1196013377.db2.gz OJNZBHSWVZVERU-UHFFFAOYSA-N 1 2 379.398 0.674 20 5 GCBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000474073706 1196056794 /nfs/dbraw/zinc/05/67/94/1196056794.db2.gz JFBKNBHADYZTAQ-OAHLLOKOSA-N 1 2 378.429 0.956 20 5 GCBDLO O=C(NC[C@H]1CS(=O)(=O)CCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000509624846 1196076280 /nfs/dbraw/zinc/07/62/80/1196076280.db2.gz JEBZDWQLBCZOIU-LBPRGKRZSA-N 1 2 380.382 0.324 20 5 GCBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000025673558 1196190808 /nfs/dbraw/zinc/19/08/08/1196190808.db2.gz GLGFXDJUDVWRJL-UHFFFAOYSA-N 1 2 381.414 0.924 20 5 GCBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000281372451 1196292143 /nfs/dbraw/zinc/29/21/43/1196292143.db2.gz GOPVIRWWACTMQX-GFCCVEGCSA-N 1 2 380.401 0.457 20 5 GCBDLO COc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000444259009 1196368992 /nfs/dbraw/zinc/36/89/92/1196368992.db2.gz JFKQDUIXNJXZBM-ZDUSSCGKSA-N 1 2 392.412 0.266 20 5 GCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428342293 1196422279 /nfs/dbraw/zinc/42/22/79/1196422279.db2.gz AAZVGZXFKTVGKA-LBPRGKRZSA-N 1 2 393.425 0.591 20 5 GCBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)nc2c1 ZINC000444665286 1196513029 /nfs/dbraw/zinc/51/30/29/1196513029.db2.gz UAIRHHQQPPCETR-LSDHHAIUSA-N 1 2 395.441 0.059 20 5 GCBDLO CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000524286663 1196585491 /nfs/dbraw/zinc/58/54/91/1196585491.db2.gz VLDWHIGJCGCIDP-UHFFFAOYSA-N 1 2 379.417 0.185 20 5 GCBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000022593461 1196714919 /nfs/dbraw/zinc/71/49/19/1196714919.db2.gz XFFJEHJINKERAT-PBHICJAKSA-N 1 2 392.456 0.619 20 5 GCBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC3(C)COC3)CC2)cc1[N+](=O)[O-] ZINC000441260287 1196718993 /nfs/dbraw/zinc/71/89/93/1196718993.db2.gz MMOONBYVCFXITJ-UHFFFAOYSA-N 1 2 385.442 0.946 20 5 GCBDLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000145569514 1196819185 /nfs/dbraw/zinc/81/91/85/1196819185.db2.gz KTEYBKAPZACJJN-BFYDXBDKSA-N 1 2 379.461 0.582 20 5 GCBDLO COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448629852 1196821759 /nfs/dbraw/zinc/82/17/59/1196821759.db2.gz JTWSHGHTQLVMIA-NSHDSACASA-N 1 2 376.325 0.615 20 5 GCBDLO CC(C)(C(N)=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449998414 1196907314 /nfs/dbraw/zinc/90/73/14/1196907314.db2.gz XNKXCUYHQRRUQV-UHFFFAOYSA-N 1 2 386.412 0.802 20 5 GCBDLO O=C1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000450225744 1196920566 /nfs/dbraw/zinc/92/05/66/1196920566.db2.gz ZNGJFLGNCYMXQE-AWEZNQCLSA-N 1 2 396.469 0.817 20 5 GCBDLO CNC(=O)c1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000053573537 1196920607 /nfs/dbraw/zinc/92/06/07/1196920607.db2.gz MOEVLWWNPNMTPG-UHFFFAOYSA-N 1 2 385.428 0.979 20 5 GCBDLO CC(C)NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451193990 1196978632 /nfs/dbraw/zinc/97/86/32/1196978632.db2.gz YPGXHRGDPSZZNW-UHFFFAOYSA-N 1 2 396.429 0.343 20 5 GCBDLO C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+]1CCOCC1 ZINC000530647858 1197001809 /nfs/dbraw/zinc/00/18/09/1197001809.db2.gz JOUPATRUPQVDME-QGZVFWFLSA-N 1 2 381.385 0.179 20 5 GCBDLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026192183 1197208654 /nfs/dbraw/zinc/20/86/54/1197208654.db2.gz QWELZYVEAYYSGR-AWEZNQCLSA-N 1 2 389.456 0.829 20 5 GCBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000130194227 1197393676 /nfs/dbraw/zinc/39/36/76/1197393676.db2.gz RPPMCGGAXKMABL-CQSZACIVSA-N 1 2 389.456 0.822 20 5 GCBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454998003 1197441551 /nfs/dbraw/zinc/44/15/51/1197441551.db2.gz KRZBUNGEXWYYAW-OAHLLOKOSA-N 1 2 390.444 0.685 20 5 GCBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454998003 1197441552 /nfs/dbraw/zinc/44/15/52/1197441552.db2.gz KRZBUNGEXWYYAW-OAHLLOKOSA-N 1 2 390.444 0.685 20 5 GCBDLO CNc1nc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000455577551 1197476420 /nfs/dbraw/zinc/47/64/20/1197476420.db2.gz SETQQJAYSQTVRD-UHFFFAOYSA-N 1 2 375.389 0.813 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000026338199 1197478113 /nfs/dbraw/zinc/47/81/13/1197478113.db2.gz SUOCQHYPRQQGSS-UHFFFAOYSA-N 1 2 386.430 0.509 20 5 GCBDLO Cc1nc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000273644776 1199058531 /nfs/dbraw/zinc/05/85/31/1199058531.db2.gz SUIGHHNFAVDUIC-UHFFFAOYSA-N 1 2 384.396 0.772 20 5 GCBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000068189681 1199591978 /nfs/dbraw/zinc/59/19/78/1199591978.db2.gz GWNSJWPSKSPBCA-UHFFFAOYSA-N 1 2 381.414 0.838 20 5 GCBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000038530595 1200224934 /nfs/dbraw/zinc/22/49/34/1200224934.db2.gz GEDHJBLOMXOPCM-UHFFFAOYSA-N 1 2 388.384 0.777 20 5 GCBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000038530595 1200224937 /nfs/dbraw/zinc/22/49/37/1200224937.db2.gz GEDHJBLOMXOPCM-UHFFFAOYSA-N 1 2 388.384 0.777 20 5 GCBDLO CNc1nccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000565187169 1200738392 /nfs/dbraw/zinc/73/83/92/1200738392.db2.gz YHQKUBHNYPYVGD-ZDUSSCGKSA-N 1 2 379.417 0.595 20 5 GCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000609428604 1201034605 /nfs/dbraw/zinc/03/46/05/1201034605.db2.gz XGUNRKKHMBPLKC-UHFFFAOYSA-N 1 2 377.405 0.657 20 5 GCBDLO CS(=O)(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611100808 1201215721 /nfs/dbraw/zinc/21/57/21/1201215721.db2.gz DSBYLUYYFZQWGR-HNNXBMFYSA-N 1 2 396.469 0.917 20 5 GCBDLO CS(=O)(=O)c1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611100808 1201215726 /nfs/dbraw/zinc/21/57/26/1201215726.db2.gz DSBYLUYYFZQWGR-HNNXBMFYSA-N 1 2 396.469 0.917 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000731631891 1201492351 /nfs/dbraw/zinc/49/23/51/1201492351.db2.gz IWQYLCIKIAJUMD-GFCCVEGCSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000731631891 1201492352 /nfs/dbraw/zinc/49/23/52/1201492352.db2.gz IWQYLCIKIAJUMD-GFCCVEGCSA-N 1 2 381.385 0.632 20 5 GCBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742254910 1201794038 /nfs/dbraw/zinc/79/40/38/1201794038.db2.gz ISLYZROXTPDSDK-UHFFFAOYSA-N 1 2 377.401 0.709 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746468707 1201925225 /nfs/dbraw/zinc/92/52/25/1201925225.db2.gz PUENZLJJASDFJF-SANMLTNESA-N 1 2 384.458 0.538 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000788377690 1205421037 /nfs/dbraw/zinc/42/10/37/1205421037.db2.gz OGHLVERBWFMSQN-CQSZACIVSA-N 1 2 391.428 0.973 20 5 GCBDLO COC(=O)c1cnc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000790768246 1205470485 /nfs/dbraw/zinc/47/04/85/1205470485.db2.gz RLPQVWZZDKWCCB-UHFFFAOYSA-N 1 2 386.430 0.697 20 5 GCBDLO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](CC[S@@](C)=O)CC3)cc2n(C)c1=O ZINC000804498556 1205516934 /nfs/dbraw/zinc/51/69/34/1205516934.db2.gz QLANTCYCVBPVPB-AREMUKBSSA-N 1 2 381.458 0.286 20 5 GCBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001177128615 1205761369 /nfs/dbraw/zinc/76/13/69/1205761369.db2.gz ODHFODOZDZDQOI-CQSZACIVSA-N 1 2 394.428 0.560 20 5 GCBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001177128615 1205761370 /nfs/dbraw/zinc/76/13/70/1205761370.db2.gz ODHFODOZDZDQOI-CQSZACIVSA-N 1 2 394.428 0.560 20 5 GCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001164702955 719876306 /nfs/dbraw/zinc/87/63/06/719876306.db2.gz JJDNCWOSPVHZJC-DYVFJYSZSA-N 1 2 379.417 0.926 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164718932 720211652 /nfs/dbraw/zinc/21/16/52/720211652.db2.gz PEOLISQCXBMTON-KRWDZBQOSA-N 1 2 394.432 0.058 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164718932 720211667 /nfs/dbraw/zinc/21/16/67/720211667.db2.gz PEOLISQCXBMTON-KRWDZBQOSA-N 1 2 394.432 0.058 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001164718672 720242851 /nfs/dbraw/zinc/24/28/51/720242851.db2.gz GNWKGTIOPCPUHF-GOSISDBHSA-N 1 2 393.444 0.663 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001164718672 720242859 /nfs/dbraw/zinc/24/28/59/720242859.db2.gz GNWKGTIOPCPUHF-GOSISDBHSA-N 1 2 393.444 0.663 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164719345 720247900 /nfs/dbraw/zinc/24/79/00/720247900.db2.gz LCEOOOMFXXPFFG-QGZVFWFLSA-N 1 2 394.432 0.058 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164719345 720247906 /nfs/dbraw/zinc/24/79/06/720247906.db2.gz LCEOOOMFXXPFFG-QGZVFWFLSA-N 1 2 394.432 0.058 20 5 GCBDLO CC(C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000820020254 945331507 /nfs/dbraw/zinc/33/15/07/945331507.db2.gz CIVRXIIJETZMTI-CYBMUJFWSA-N 1 2 375.437 0.854 20 5 GCBDLO CC(C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000820020254 945331515 /nfs/dbraw/zinc/33/15/15/945331515.db2.gz CIVRXIIJETZMTI-CYBMUJFWSA-N 1 2 375.437 0.854 20 5 GCBDLO O=[N+]([O-])c1cncc(I)c1NCC[N@H+]1CC[C@@H](O)C1 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C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1=O ZINC000420996270 1194282194 /nfs/dbraw/zinc/28/21/94/1194282194.db2.gz ANSXSXTVIICQRH-HNNXBMFYSA-N 1 2 382.442 0.568 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367083693 1194366420 /nfs/dbraw/zinc/36/64/20/1194366420.db2.gz ICSPYZIHUFFHLF-OAHLLOKOSA-N 1 2 399.407 0.901 20 5 GCBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000440273027 1195399473 /nfs/dbraw/zinc/39/94/73/1195399473.db2.gz DCKULHGIOVCCTF-LLVKDONJSA-N 1 2 378.385 0.857 20 5 GCBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000440273027 1195399479 /nfs/dbraw/zinc/39/94/79/1195399479.db2.gz DCKULHGIOVCCTF-LLVKDONJSA-N 1 2 378.385 0.857 20 5 GCBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000427366973 1195531617 /nfs/dbraw/zinc/53/16/17/1195531617.db2.gz QANYGRMKUYMENU-UHFFFAOYSA-N 1 2 387.400 0.846 20 5 GCBDLO NS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379508 1195740574 /nfs/dbraw/zinc/74/05/74/1195740574.db2.gz MHFJEEHDLDVQKT-IUODEOHRSA-N 1 2 397.457 0.205 20 5 GCBDLO NS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379508 1195740577 /nfs/dbraw/zinc/74/05/77/1195740577.db2.gz MHFJEEHDLDVQKT-IUODEOHRSA-N 1 2 397.457 0.205 20 5 GCBDLO CC[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000428068704 1195909419 /nfs/dbraw/zinc/90/94/19/1195909419.db2.gz CRSFXBMGZVLYTD-AWEZNQCLSA-N 1 2 394.428 0.560 20 5 GCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000428068704 1195909421 /nfs/dbraw/zinc/90/94/21/1195909421.db2.gz CRSFXBMGZVLYTD-AWEZNQCLSA-N 1 2 394.428 0.560 20 5 GCBDLO CC[C@@H]1C[N@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428078206 1195910181 /nfs/dbraw/zinc/91/01/81/1195910181.db2.gz MPWHFHWVWKTQKB-MRXNPFEDSA-N 1 2 393.444 0.621 20 5 GCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428078206 1195910186 /nfs/dbraw/zinc/91/01/86/1195910186.db2.gz MPWHFHWVWKTQKB-MRXNPFEDSA-N 1 2 393.444 0.621 20 5 GCBDLO O=[N+]([O-])c1cnc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000443518851 1196064532 /nfs/dbraw/zinc/06/45/32/1196064532.db2.gz UMCVZJVPFUQZGN-UHFFFAOYSA-N 1 2 398.470 1.010 20 5 GCBDLO CC(C)(CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[NH+]1CCOCC1 ZINC000025397905 1196111965 /nfs/dbraw/zinc/11/19/65/1196111965.db2.gz UGUFILGZPWDOLZ-UHFFFAOYSA-N 1 2 390.396 0.418 20 5 GCBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000281568160 1196310424 /nfs/dbraw/zinc/31/04/24/1196310424.db2.gz MABZGLCTBRWRKY-OAHLLOKOSA-N 1 2 381.429 0.824 20 5 GCBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000281568156 1196310484 /nfs/dbraw/zinc/31/04/84/1196310484.db2.gz MABZGLCTBRWRKY-HNNXBMFYSA-N 1 2 381.429 0.824 20 5 GCBDLO COCC[NH+]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000444221171 1196363831 /nfs/dbraw/zinc/36/38/31/1196363831.db2.gz YURBWCYBEUNNKF-UHFFFAOYSA-N 1 2 390.396 0.652 20 5 GCBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)nc2c1 ZINC000444665282 1196513327 /nfs/dbraw/zinc/51/33/27/1196513327.db2.gz UAIRHHQQPPCETR-HUUCEWRRSA-N 1 2 395.441 0.059 20 5 GCBDLO CC(C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+]1CCN(C)CC1 ZINC000525193806 1196657061 /nfs/dbraw/zinc/65/70/61/1196657061.db2.gz SZIXFGSETZQWPL-OAHLLOKOSA-N 1 2 385.490 0.926 20 5 GCBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CCO)CCN1CCOCC1 ZINC000450257100 1196922024 /nfs/dbraw/zinc/92/20/24/1196922024.db2.gz UEMPNOHGQXWEBM-UHFFFAOYSA-N 1 2 389.412 0.547 20 5 GCBDLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450378435 1196925984 /nfs/dbraw/zinc/92/59/84/1196925984.db2.gz NDBUJQURCWUDDD-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO NS(=O)(=O)c1cccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000273487189 1199021987 /nfs/dbraw/zinc/02/19/87/1199021987.db2.gz OFGOTNRDTPMMHB-UHFFFAOYSA-N 1 2 396.429 0.515 20 5 GCBDLO CNc1nccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000565187166 1200737881 /nfs/dbraw/zinc/73/78/81/1200737881.db2.gz YHQKUBHNYPYVGD-CYBMUJFWSA-N 1 2 379.417 0.595 20 5 GCBDLO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000566348704 1200797236 /nfs/dbraw/zinc/79/72/36/1200797236.db2.gz GPWCZFQRBZMNDQ-LBPRGKRZSA-N 1 2 381.396 1.525 20 5 GCBDLO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000567904749 1200797619 /nfs/dbraw/zinc/79/76/19/1200797619.db2.gz LTYMLGGJMJZDMK-LBPRGKRZSA-N 1 2 381.396 1.525 20 5 GCBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000282560269 1201612221 /nfs/dbraw/zinc/61/22/21/1201612221.db2.gz RJCYIYLLJAWLGD-GFCCVEGCSA-N 1 2 398.391 0.132 20 5 GCBDLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000746469183 1201925370 /nfs/dbraw/zinc/92/53/70/1201925370.db2.gz QZXDHAZVVNYMDD-MHZLTWQESA-N 1 2 398.441 0.258 20 5 GCBDLO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000770621871 1202105945 /nfs/dbraw/zinc/10/59/45/1202105945.db2.gz LTJGTQXUTSDAOG-LBPRGKRZSA-N 1 2 395.416 0.976 20 5 GCBDLO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000770621871 1202105948 /nfs/dbraw/zinc/10/59/48/1202105948.db2.gz LTJGTQXUTSDAOG-LBPRGKRZSA-N 1 2 395.416 0.976 20 5 GCBDLO COC(=O)COc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000789515300 1205441591 /nfs/dbraw/zinc/44/15/91/1205441591.db2.gz ZIVAXEUWPVDLJS-HHHXNRCGSA-N 1 2 399.469 0.643 20 5 GCBDLO C[S@@](=O)CC[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000790271688 1205461673 /nfs/dbraw/zinc/46/16/73/1205461673.db2.gz KOFOTQREVQURPV-HHHXNRCGSA-N 1 2 396.513 0.928 20 5 GCBDLO CS(=O)(=O)CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)COC1 ZINC001130977532 1205584587 /nfs/dbraw/zinc/58/45/87/1205584587.db2.gz QCLSUZMPKSDUFI-UHFFFAOYSA-N 1 2 380.382 0.324 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC001176273360 1205746033 /nfs/dbraw/zinc/74/60/33/1205746033.db2.gz NNTXLVCZKBWIAQ-CYBMUJFWSA-N 1 2 397.428 0.766 20 5 GCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001176719696 1205753029 /nfs/dbraw/zinc/75/30/29/1205753029.db2.gz UVPIONXOCXJAIT-CYBMUJFWSA-N 1 2 376.413 0.805 20 5 GCBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001177128614 1205761428 /nfs/dbraw/zinc/76/14/28/1205761428.db2.gz ODHFODOZDZDQOI-AWEZNQCLSA-N 1 2 394.428 0.560 20 5 GCBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001177128614 1205761430 /nfs/dbraw/zinc/76/14/30/1205761430.db2.gz ODHFODOZDZDQOI-AWEZNQCLSA-N 1 2 394.428 0.560 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)ncc3[N+](=O)[O-])CC2)C1=O ZINC001164636748 719273142 /nfs/dbraw/zinc/27/31/42/719273142.db2.gz WIQNWFRARVBAJZ-UHFFFAOYSA-N 1 2 378.433 0.453 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)ncc3[N+](=O)[O-])CC2)C1=O ZINC001164636748 719273149 /nfs/dbraw/zinc/27/31/49/719273149.db2.gz WIQNWFRARVBAJZ-UHFFFAOYSA-N 1 2 378.433 0.453 20 5 GCBDLO Cc1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1[N+](=O)[O-] ZINC001164702464 719938839 /nfs/dbraw/zinc/93/88/39/719938839.db2.gz GMAJUGOSZXZRHC-UHFFFAOYSA-N 1 2 399.455 0.982 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164717854 720225202 /nfs/dbraw/zinc/22/52/02/720225202.db2.gz JPWCDRMMIJGLLX-KRWDZBQOSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164717854 720225208 /nfs/dbraw/zinc/22/52/08/720225208.db2.gz JPWCDRMMIJGLLX-KRWDZBQOSA-N 1 2 381.408 0.794 20 5 GCBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)S1 ZINC000266054475 530128332 /nfs/dbraw/zinc/12/83/32/530128332.db2.gz XVZGVYRFBSBBSJ-SNVBAGLBSA-N 1 2 385.471 0.856 20 5 GCBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000265207263 530520039 /nfs/dbraw/zinc/52/00/39/530520039.db2.gz CNYQFIOTSKDGBC-HUUCEWRRSA-N 1 2 389.861 0.836 20 5 GCBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000266910832 530567120 /nfs/dbraw/zinc/56/71/20/530567120.db2.gz CWHPGRHHZUNADW-DZGCQCFKSA-N 1 2 389.861 0.836 20 5 GCBDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269449323 530745873 /nfs/dbraw/zinc/74/58/73/530745873.db2.gz BWHUABLTTHYMDX-JTQLQIEISA-N 1 2 394.247 0.966 20 5 GCBDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269449323 530745878 /nfs/dbraw/zinc/74/58/78/530745878.db2.gz BWHUABLTTHYMDX-JTQLQIEISA-N 1 2 394.247 0.966 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000416592301 530847163 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377.394 0.431 20 5 GCBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000491763142 530930923 /nfs/dbraw/zinc/93/09/23/530930923.db2.gz RJKRNYSUJVPJDT-ZFWWWQNUSA-N 1 2 389.861 0.836 20 5 GCBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000604432638 530938095 /nfs/dbraw/zinc/93/80/95/530938095.db2.gz HERCILNZXBYETR-UHFFFAOYSA-N 1 2 375.476 0.271 20 5 GCBDLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000275024498 530995427 /nfs/dbraw/zinc/99/54/27/530995427.db2.gz NIPUHRAMECBDRG-AWEZNQCLSA-N 1 2 389.499 0.933 20 5 GCBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824947994 607588824 /nfs/dbraw/zinc/58/88/24/607588824.db2.gz SFEJTNDDOFEGAK-NSHDSACASA-N 1 2 395.445 0.785 20 5 GCBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824947994 607588827 /nfs/dbraw/zinc/58/88/27/607588827.db2.gz SFEJTNDDOFEGAK-NSHDSACASA-N 1 2 395.445 0.785 20 5 GCBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C[N@@H+]1C ZINC000824991429 608562945 /nfs/dbraw/zinc/56/29/45/608562945.db2.gz AWVBFZFHKUENRW-ZJUUUORDSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C[N@H+]1C ZINC000824991429 608562946 /nfs/dbraw/zinc/56/29/46/608562946.db2.gz AWVBFZFHKUENRW-ZJUUUORDSA-N 1 2 381.418 0.488 20 5 GCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000053836227 1192260825 /nfs/dbraw/zinc/26/08/25/1192260825.db2.gz CMJMAENNWVAERX-UHFFFAOYSA-N 1 2 387.400 0.406 20 5 GCBDLO C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000265135960 1192475277 /nfs/dbraw/zinc/47/52/77/1192475277.db2.gz TYPJASRJUQRKFQ-AWEZNQCLSA-N 1 2 377.445 0.467 20 5 GCBDLO Cn1c[nH+]c(CCNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000458012274 1184485093 /nfs/dbraw/zinc/48/50/93/1184485093.db2.gz KJZXVTXDJJUCCQ-UHFFFAOYSA-N 1 2 396.429 0.149 20 5 GCBDLO 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ZINC000378120557 1189419472 /nfs/dbraw/zinc/41/94/72/1189419472.db2.gz XEIVEDCSMDKFIX-LBPRGKRZSA-N 1 2 396.831 0.911 20 5 GCBDLO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378476259 1189516121 /nfs/dbraw/zinc/51/61/21/1189516121.db2.gz QOKRQYFFZOUMFB-HNNXBMFYSA-N 1 2 390.440 0.978 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416590683 1189557779 /nfs/dbraw/zinc/55/77/79/1189557779.db2.gz SQMUXFAFVBSAGA-NSHDSACASA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416590683 1189557782 /nfs/dbraw/zinc/55/77/82/1189557782.db2.gz SQMUXFAFVBSAGA-NSHDSACASA-N 1 2 387.414 0.329 20 5 GCBDLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000500264740 1189752229 /nfs/dbraw/zinc/75/22/29/1189752229.db2.gz LZUUZMUAZMFDCW-UHFFFAOYSA-N 1 2 397.395 0.919 20 5 GCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261707749 1193738114 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NMHORRZMWDNJJL-CYBMUJFWSA-N 1 2 389.478 0.933 20 5 GCBDLO CCC[C@@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000501155148 1194069775 /nfs/dbraw/zinc/06/97/75/1194069775.db2.gz NMHORRZMWDNJJL-CYBMUJFWSA-N 1 2 389.478 0.933 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366559601 1194219496 /nfs/dbraw/zinc/21/94/96/1194219496.db2.gz UNWBHVSGQREDMC-CQSZACIVSA-N 1 2 392.412 0.266 20 5 GCBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000413965066 1194366926 /nfs/dbraw/zinc/36/69/26/1194366926.db2.gz GCPFVWYNYHCOLC-UHFFFAOYSA-N 1 2 390.396 0.418 20 5 GCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422107046 1194387469 /nfs/dbraw/zinc/38/74/69/1194387469.db2.gz WHHMPELOUZBTQU-CYBMUJFWSA-N 1 2 387.400 0.040 20 5 GCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505579607 1194880315 /nfs/dbraw/zinc/88/03/15/1194880315.db2.gz SVBMACOKRDAIRR-OAHLLOKOSA-N 1 2 397.391 0.888 20 5 GCBDLO COc1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975709 1194880879 /nfs/dbraw/zinc/88/08/79/1194880879.db2.gz FVDUXUFPNPBSRV-KBPBESRZSA-N 1 2 396.444 0.555 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505692319 1194929878 /nfs/dbraw/zinc/92/98/78/1194929878.db2.gz SJKGBCYSCNGQGR-QGZVFWFLSA-N 1 2 398.423 0.962 20 5 GCBDLO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000437005436 1195055586 /nfs/dbraw/zinc/05/55/86/1195055586.db2.gz YFEIDZAXDGEZTQ-UHFFFAOYSA-N 1 2 376.373 0.427 20 5 GCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517953371 1195231945 /nfs/dbraw/zinc/23/19/45/1195231945.db2.gz XDUBTCHGDZAEIA-LBPRGKRZSA-N 1 2 381.414 0.665 20 5 GCBDLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000519620698 1195559127 /nfs/dbraw/zinc/55/91/27/1195559127.db2.gz CWWXVRNNFIGRSN-GJZGRUSLSA-N 1 2 378.429 0.951 20 5 GCBDLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000519620698 1195559129 /nfs/dbraw/zinc/55/91/29/1195559129.db2.gz CWWXVRNNFIGRSN-GJZGRUSLSA-N 1 2 378.429 0.951 20 5 GCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536326996 1195731414 /nfs/dbraw/zinc/73/14/14/1195731414.db2.gz AXIHPXAWFGZYRX-HUUCEWRRSA-N 1 2 392.437 0.904 20 5 GCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536326996 1195731418 /nfs/dbraw/zinc/73/14/18/1195731418.db2.gz AXIHPXAWFGZYRX-HUUCEWRRSA-N 1 2 392.437 0.904 20 5 GCBDLO COC(=O)Cn1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000441608177 1195795656 /nfs/dbraw/zinc/79/56/56/1195795656.db2.gz CUNAZSOMYJFSBY-UHFFFAOYSA-N 1 2 385.340 0.475 20 5 GCBDLO CC[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428077926 1195910310 /nfs/dbraw/zinc/91/03/10/1195910310.db2.gz PYEYAEJLZVWUBP-OAHLLOKOSA-N 1 2 378.429 0.860 20 5 GCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428077926 1195910313 /nfs/dbraw/zinc/91/03/13/1195910313.db2.gz PYEYAEJLZVWUBP-OAHLLOKOSA-N 1 2 378.429 0.860 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000442068954 1195951171 /nfs/dbraw/zinc/95/11/71/1195951171.db2.gz USSOKNKVCSNSDS-GFCCVEGCSA-N 1 2 378.385 0.629 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000442068954 1195951172 /nfs/dbraw/zinc/95/11/72/1195951172.db2.gz USSOKNKVCSNSDS-GFCCVEGCSA-N 1 2 378.385 0.629 20 5 GCBDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000509618776 1196060249 /nfs/dbraw/zinc/06/02/49/1196060249.db2.gz MKJOLJRSMVQIRH-CYBMUJFWSA-N 1 2 376.373 0.267 20 5 GCBDLO C[N@H+](CC(N)=O)C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000509618776 1196060253 /nfs/dbraw/zinc/06/02/53/1196060253.db2.gz MKJOLJRSMVQIRH-CYBMUJFWSA-N 1 2 376.373 0.267 20 5 GCBDLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(Cn4ccc([N+](=O)[O-])n4)n3)cn2)CC1 ZINC000546449663 1196107733 /nfs/dbraw/zinc/10/77/33/1196107733.db2.gz QTXFJQKRZMUXOA-UHFFFAOYSA-N 1 2 398.383 0.672 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000267704310 1196126867 /nfs/dbraw/zinc/12/68/67/1196126867.db2.gz PZYCIRZELHDEQM-QGZVFWFLSA-N 1 2 380.445 0.938 20 5 GCBDLO COc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000444259008 1196369086 /nfs/dbraw/zinc/36/90/86/1196369086.db2.gz JFKQDUIXNJXZBM-CYBMUJFWSA-N 1 2 392.412 0.266 20 5 GCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428342292 1196422535 /nfs/dbraw/zinc/42/25/35/1196422535.db2.gz AAZVGZXFKTVGKA-GFCCVEGCSA-N 1 2 393.425 0.591 20 5 GCBDLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(Cn4cc([N+](=O)[O-])cn4)n3)cn2)CC1 ZINC000545762237 1196462085 /nfs/dbraw/zinc/46/20/85/1196462085.db2.gz MSEZAWJBLBGBKC-UHFFFAOYSA-N 1 2 398.383 0.672 20 5 GCBDLO CN(CC(=O)N[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000428359422 1196467366 /nfs/dbraw/zinc/46/73/66/1196467366.db2.gz JHWHGBUDFZQVCE-LBPRGKRZSA-N 1 2 393.425 0.543 20 5 GCBDLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440497896 1196509310 /nfs/dbraw/zinc/50/93/10/1196509310.db2.gz WNDYKULSGXAZFR-CYBMUJFWSA-N 1 2 378.433 0.461 20 5 GCBDLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440497896 1196509312 /nfs/dbraw/zinc/50/93/12/1196509312.db2.gz WNDYKULSGXAZFR-CYBMUJFWSA-N 1 2 378.433 0.461 20 5 GCBDLO C[C@H]1C[N@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000523712690 1196553234 /nfs/dbraw/zinc/55/32/34/1196553234.db2.gz HCOISELQKRTIHM-NSHDSACASA-N 1 2 376.369 0.028 20 5 GCBDLO C[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000523712690 1196553241 /nfs/dbraw/zinc/55/32/41/1196553241.db2.gz HCOISELQKRTIHM-NSHDSACASA-N 1 2 376.369 0.028 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000523777137 1196560241 /nfs/dbraw/zinc/56/02/41/1196560241.db2.gz TWBALGYZANJPAJ-GFCCVEGCSA-N 1 2 380.401 0.170 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000523777137 1196560246 /nfs/dbraw/zinc/56/02/46/1196560246.db2.gz TWBALGYZANJPAJ-GFCCVEGCSA-N 1 2 380.401 0.170 20 5 GCBDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000022593455 1196714656 /nfs/dbraw/zinc/71/46/56/1196714656.db2.gz XFFJEHJINKERAT-WMLDXEAASA-N 1 2 392.456 0.619 20 5 GCBDLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000441254345 1196715015 /nfs/dbraw/zinc/71/50/15/1196715015.db2.gz YUNLIXRFSQFIKA-QGZVFWFLSA-N 1 2 377.397 0.730 20 5 GCBDLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000441254342 1196718520 /nfs/dbraw/zinc/71/85/20/1196718520.db2.gz YUNLIXRFSQFIKA-KRWDZBQOSA-N 1 2 377.397 0.730 20 5 GCBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447682357 1196740035 /nfs/dbraw/zinc/74/00/35/1196740035.db2.gz XWBFUYRERSSPTQ-CYBMUJFWSA-N 1 2 388.428 0.840 20 5 GCBDLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448673720 1196823988 /nfs/dbraw/zinc/82/39/88/1196823988.db2.gz BVZIGQFFTGZJKT-AWEZNQCLSA-N 1 2 387.352 0.284 20 5 GCBDLO O=C(NCCN1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448794381 1196832062 /nfs/dbraw/zinc/83/20/62/1196832062.db2.gz JIJGOYITRVGMDH-UHFFFAOYSA-N 1 2 393.425 0.241 20 5 GCBDLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450055604 1196909435 /nfs/dbraw/zinc/90/94/35/1196909435.db2.gz FMCBEHGTGMSBHW-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450055605 1196909644 /nfs/dbraw/zinc/90/96/44/1196909644.db2.gz FMCBEHGTGMSBHW-ZDUSSCGKSA-N 1 2 393.425 0.934 20 5 GCBDLO CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450208447 1196920628 /nfs/dbraw/zinc/92/06/28/1196920628.db2.gz NCANAXMEEBHXGK-GFCCVEGCSA-N 1 2 393.425 0.792 20 5 GCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000530447121 1196987690 /nfs/dbraw/zinc/98/76/90/1196987690.db2.gz GLQWFXRCRNNTSS-GFCCVEGCSA-N 1 2 387.414 0.270 20 5 GCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000530447121 1196987694 /nfs/dbraw/zinc/98/76/94/1196987694.db2.gz GLQWFXRCRNNTSS-GFCCVEGCSA-N 1 2 387.414 0.270 20 5 GCBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC(=O)N1CCCC1 ZINC000533379961 1197448208 /nfs/dbraw/zinc/44/82/08/1197448208.db2.gz HAGUWDPINIZZLW-ZDUSSCGKSA-N 1 2 376.417 0.215 20 5 GCBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC(=O)N1CCCC1 ZINC000533379961 1197448210 /nfs/dbraw/zinc/44/82/10/1197448210.db2.gz HAGUWDPINIZZLW-ZDUSSCGKSA-N 1 2 376.417 0.215 20 5 GCBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000533498663 1197455679 /nfs/dbraw/zinc/45/56/79/1197455679.db2.gz MWVPMPVRUBQTBL-UHFFFAOYSA-N 1 2 385.424 0.695 20 5 GCBDLO COc1ccc(NC(=O)CC[NH+]2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000026338205 1197478347 /nfs/dbraw/zinc/47/83/47/1197478347.db2.gz WNGKWKPXHNTZRS-UHFFFAOYSA-N 1 2 386.430 0.509 20 5 GCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CC[NH+](CCO)CC1 ZINC000273414220 1198989365 /nfs/dbraw/zinc/98/93/65/1198989365.db2.gz ISCGZGSFTAWLQO-UHFFFAOYSA-N 1 2 388.327 0.271 20 5 GCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000543017763 1199363362 /nfs/dbraw/zinc/36/33/62/1199363362.db2.gz WADZRGXVYWEJKA-ZDUSSCGKSA-N 1 2 389.368 0.257 20 5 GCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000543017763 1199363371 /nfs/dbraw/zinc/36/33/71/1199363371.db2.gz WADZRGXVYWEJKA-ZDUSSCGKSA-N 1 2 389.368 0.257 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000265882446 1199852896 /nfs/dbraw/zinc/85/28/96/1199852896.db2.gz CDQDULXACVNWOG-CYBMUJFWSA-N 1 2 393.444 0.085 20 5 GCBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000265903744 1199901268 /nfs/dbraw/zinc/90/12/68/1199901268.db2.gz VTYANFNXUOEAJB-UHFFFAOYSA-N 1 2 375.385 0.295 20 5 GCBDLO CC(C)(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)n1cc([N+](=O)[O-])cn1 ZINC000609428520 1200650571 /nfs/dbraw/zinc/65/05/71/1200650571.db2.gz TTZYHVAXHNSIGD-UHFFFAOYSA-N 1 2 377.405 0.694 20 5 GCBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000593055678 1200767443 /nfs/dbraw/zinc/76/74/43/1200767443.db2.gz YYJHWLVRAAKGCX-UHFFFAOYSA-N 1 2 377.376 1.444 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000731624153 1201492161 /nfs/dbraw/zinc/49/21/61/1201492161.db2.gz AABHSGVZOLEAMV-LBPRGKRZSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000731624153 1201492169 /nfs/dbraw/zinc/49/21/69/1201492169.db2.gz AABHSGVZOLEAMV-LBPRGKRZSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000746464540 1201925728 /nfs/dbraw/zinc/92/57/28/1201925728.db2.gz CWLURLVIAWQRDO-CEXHIMGSSA-N 1 2 398.485 0.927 20 5 GCBDLO C[S@](=O)CC[NH+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000746476683 1201926638 /nfs/dbraw/zinc/92/66/38/1201926638.db2.gz WZYFUXWLDOZRHL-MHZLTWQESA-N 1 2 396.469 0.889 20 5 GCBDLO COC(=O)C(C(=O)OC)c1cc(NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001169660846 1201953956 /nfs/dbraw/zinc/95/39/56/1201953956.db2.gz RJSPEZDRKNMSBP-LBPRGKRZSA-N 1 2 381.385 0.767 20 5 GCBDLO COC(=O)C(C(=O)OC)c1cc(NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001169660846 1201953958 /nfs/dbraw/zinc/95/39/58/1201953958.db2.gz RJSPEZDRKNMSBP-LBPRGKRZSA-N 1 2 381.385 0.767 20 5 GCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767446357 1201973789 /nfs/dbraw/zinc/97/37/89/1201973789.db2.gz SZFFWECNMVWQDS-OKILXGFUSA-N 1 2 391.380 0.727 20 5 GCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767446357 1201973790 /nfs/dbraw/zinc/97/37/90/1201973790.db2.gz SZFFWECNMVWQDS-OKILXGFUSA-N 1 2 391.380 0.727 20 5 GCBDLO O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767452358 1201974115 /nfs/dbraw/zinc/97/41/15/1201974115.db2.gz YRATTXHWVITIHH-BETUJISGSA-N 1 2 389.364 0.597 20 5 GCBDLO O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767452358 1201974116 /nfs/dbraw/zinc/97/41/16/1201974116.db2.gz YRATTXHWVITIHH-BETUJISGSA-N 1 2 389.364 0.597 20 5 GCBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771564030 1202149357 /nfs/dbraw/zinc/14/93/57/1202149357.db2.gz YQKAHSNGSBQAQW-MRXNPFEDSA-N 1 2 390.440 0.978 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000788602840 1205426385 /nfs/dbraw/zinc/42/63/85/1205426385.db2.gz CURHSNKZEYTPIZ-CQSZACIVSA-N 1 2 385.340 0.344 20 5 GCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](CO)C2)CC1 ZINC001173696224 1205726592 /nfs/dbraw/zinc/72/65/92/1205726592.db2.gz QGJJEGZORLNSAD-CQSZACIVSA-N 1 2 385.442 0.441 20 5 GCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](CO)C2)CC1 ZINC001173696224 1205726593 /nfs/dbraw/zinc/72/65/93/1205726593.db2.gz QGJJEGZORLNSAD-CQSZACIVSA-N 1 2 385.442 0.441 20 5 GCBDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001176903092 1205758422 /nfs/dbraw/zinc/75/84/22/1205758422.db2.gz VAEGYTQMFIVYHC-LEWSCRJBSA-N 1 2 379.369 0.816 20 5 GCBDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001176903092 1205758425 /nfs/dbraw/zinc/75/84/25/1205758425.db2.gz VAEGYTQMFIVYHC-LEWSCRJBSA-N 1 2 379.369 0.816 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001164698377 719851325 /nfs/dbraw/zinc/85/13/25/719851325.db2.gz BUYVDQNKWACCEW-SUMWQHHRSA-N 1 2 379.417 0.926 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001164699472 719854707 /nfs/dbraw/zinc/85/47/07/719854707.db2.gz FNKLBESZEPZUMY-SJCJKPOMSA-N 1 2 395.416 0.626 20 5 GCBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164701752 719934343 /nfs/dbraw/zinc/93/43/43/719934343.db2.gz BEQTUZRYNACHMV-UHFFFAOYSA-N 1 2 399.455 0.982 20 5 GCBDLO CC[NH+](CC)CCS(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579176686 530178456 /nfs/dbraw/zinc/17/84/56/530178456.db2.gz FXJACPGWIFHQDV-UHFFFAOYSA-N 1 2 393.487 0.630 20 5 GCBDLO COc1cc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000274360874 530251630 /nfs/dbraw/zinc/25/16/30/530251630.db2.gz ZLQYPVPLHNXDSY-JTQLQIEISA-N 1 2 376.410 0.748 20 5 GCBDLO COc1cc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])cc1F ZINC000274360874 530251632 /nfs/dbraw/zinc/25/16/32/530251632.db2.gz ZLQYPVPLHNXDSY-JTQLQIEISA-N 1 2 376.410 0.748 20 5 GCBDLO CS(=O)(=O)c1ccc(NCCNc2nc[nH+]c(N)c2Cl)c([N+](=O)[O-])c1 ZINC000433629220 530242632 /nfs/dbraw/zinc/24/26/32/530242632.db2.gz TUIQFZCMLUFJIH-UHFFFAOYSA-N 1 2 386.821 1.548 20 5 GCBDLO CS(=O)(=O)c1ccc(NCCNc2[nH+]cnc(N)c2Cl)c([N+](=O)[O-])c1 ZINC000433629220 530242634 /nfs/dbraw/zinc/24/26/34/530242634.db2.gz TUIQFZCMLUFJIH-UHFFFAOYSA-N 1 2 386.821 1.548 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+](C)C1 ZINC000416585583 530847330 /nfs/dbraw/zinc/84/73/30/530847330.db2.gz OACZUENIACZCBT-SNVBAGLBSA-N 1 2 377.444 0.690 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+](C)C1 ZINC000416585583 530847335 /nfs/dbraw/zinc/84/73/35/530847335.db2.gz OACZUENIACZCBT-SNVBAGLBSA-N 1 2 377.444 0.690 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000416592298 530847545 /nfs/dbraw/zinc/84/75/45/530847545.db2.gz UVAHOEREFKKWBN-JTQLQIEISA-N 1 2 375.378 0.459 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000416592298 530847548 /nfs/dbraw/zinc/84/75/48/530847548.db2.gz UVAHOEREFKKWBN-JTQLQIEISA-N 1 2 375.378 0.459 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000270943483 530888362 /nfs/dbraw/zinc/88/83/62/530888362.db2.gz KDSWZWGLSNSKAC-SNVBAGLBSA-N 1 2 375.223 0.882 20 5 GCBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000302012142 530927814 /nfs/dbraw/zinc/92/78/14/530927814.db2.gz ZESTZBMRUOIFBM-UHFFFAOYSA-N 1 2 375.476 0.271 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000444276961 530994776 /nfs/dbraw/zinc/99/47/76/530994776.db2.gz JTTGMNMYYUHHHQ-LLVKDONJSA-N 1 2 375.451 0.277 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000444276961 530994779 /nfs/dbraw/zinc/99/47/79/530994779.db2.gz JTTGMNMYYUHHHQ-LLVKDONJSA-N 1 2 375.451 0.277 20 5 GCBDLO C[C@H]1C[NH+]=C(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)S1 ZINC000272334273 530990395 /nfs/dbraw/zinc/99/03/95/530990395.db2.gz ANFPZYDTCACYCD-JTQLQIEISA-N 1 2 385.471 0.856 20 5 GCBDLO CN1CC[NH+](C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863530 598337319 /nfs/dbraw/zinc/33/73/19/598337319.db2.gz LKYDAIHFUAHPRK-CQSZACIVSA-N 1 2 388.432 0.228 20 5 GCBDLO O=c1ccccn1CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000738380603 598673115 /nfs/dbraw/zinc/67/31/15/598673115.db2.gz OVQAOKKSJSVVFX-UHFFFAOYSA-N 1 2 396.411 0.759 20 5 GCBDLO CN1CC[N@H+](C)C[C@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821626942 599550074 /nfs/dbraw/zinc/55/00/74/599550074.db2.gz GSWPIZJCVFNHJE-GFCCVEGCSA-N 1 2 383.416 0.981 20 5 GCBDLO CN1CC[N@@H+](C)C[C@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821626942 599550076 /nfs/dbraw/zinc/55/00/76/599550076.db2.gz GSWPIZJCVFNHJE-GFCCVEGCSA-N 1 2 383.416 0.981 20 5 GCBDLO CN1CC[N@H+](C)[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821626942 599550078 /nfs/dbraw/zinc/55/00/78/599550078.db2.gz GSWPIZJCVFNHJE-GFCCVEGCSA-N 1 2 383.416 0.981 20 5 GCBDLO CN1CC[N@@H+](C)[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821626942 599550079 /nfs/dbraw/zinc/55/00/79/599550079.db2.gz GSWPIZJCVFNHJE-GFCCVEGCSA-N 1 2 383.416 0.981 20 5 GCBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825406382 607449680 /nfs/dbraw/zinc/44/96/80/607449680.db2.gz MIZDNPFXKNRZFN-UHFFFAOYSA-N 1 2 388.432 0.765 20 5 GCBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000820131199 606730844 /nfs/dbraw/zinc/73/08/44/606730844.db2.gz ALNJQSOGWCJPMD-UHFFFAOYSA-N 1 2 381.418 0.490 20 5 GCBDLO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821592385 606734910 /nfs/dbraw/zinc/73/49/10/606734910.db2.gz DCAPHZFONJXAAP-LLVKDONJSA-N 1 2 393.429 0.632 20 5 GCBDLO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821592385 606734912 /nfs/dbraw/zinc/73/49/12/606734912.db2.gz DCAPHZFONJXAAP-LLVKDONJSA-N 1 2 393.429 0.632 20 5 GCBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824857112 608156404 /nfs/dbraw/zinc/15/64/04/608156404.db2.gz AZYJCZYISVBZHK-UWVGGRQHSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824857112 608156406 /nfs/dbraw/zinc/15/64/06/608156406.db2.gz AZYJCZYISVBZHK-UWVGGRQHSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824857113 608156723 /nfs/dbraw/zinc/15/67/23/608156723.db2.gz AZYJCZYISVBZHK-VHSXEESVSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824857113 608156724 /nfs/dbraw/zinc/15/67/24/608156724.db2.gz AZYJCZYISVBZHK-VHSXEESVSA-N 1 2 381.418 0.488 20 5 GCBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1C ZINC000825453239 608238490 /nfs/dbraw/zinc/23/84/90/608238490.db2.gz UQOQEYCBULIOGH-MNOVXSKESA-N 1 2 395.445 0.878 20 5 GCBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1C ZINC000825453239 608238492 /nfs/dbraw/zinc/23/84/92/608238492.db2.gz UQOQEYCBULIOGH-MNOVXSKESA-N 1 2 395.445 0.878 20 5 GCBDLO NC(=O)[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000062245384 1192183284 /nfs/dbraw/zinc/18/32/84/1192183284.db2.gz JYBDJVZTMULMHY-OAHLLOKOSA-N 1 2 378.410 0.689 20 5 GCBDLO CC(C)(CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000105105672 1192301409 /nfs/dbraw/zinc/30/14/09/1192301409.db2.gz CGUURWHIBWVSQI-UHFFFAOYSA-N 1 2 392.412 0.547 20 5 GCBDLO Cn1c[nH+]cc1CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000291745192 1192363238 /nfs/dbraw/zinc/36/32/38/1192363238.db2.gz COKAVDCOCMUYHC-UHFFFAOYSA-N 1 2 382.402 0.106 20 5 GCBDLO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC000066986895 1192466211 /nfs/dbraw/zinc/46/62/11/1192466211.db2.gz HPAXLYJFHUHIHR-UHFFFAOYSA-N 1 2 382.402 0.069 20 5 GCBDLO CC(C)(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1 ZINC000279556114 1192555978 /nfs/dbraw/zinc/55/59/78/1192555978.db2.gz YAOUFRPZZJMYSP-UHFFFAOYSA-N 1 2 390.440 0.990 20 5 GCBDLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000015417912 1192783314 /nfs/dbraw/zinc/78/33/14/1192783314.db2.gz IAXZRFRQCTYDCV-UHFFFAOYSA-N 1 2 375.429 0.408 20 5 GCBDLO C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000609191639 1184431153 /nfs/dbraw/zinc/43/11/53/1184431153.db2.gz CJOLNEOKIYBQJO-KGLIPLIRSA-N 1 2 393.444 0.619 20 5 GCBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000274978471 1184446880 /nfs/dbraw/zinc/44/68/80/1184446880.db2.gz LTRHCAILMFPWEC-KGLIPLIRSA-N 1 2 385.421 0.378 20 5 GCBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000274978471 1184446882 /nfs/dbraw/zinc/44/68/82/1184446882.db2.gz LTRHCAILMFPWEC-KGLIPLIRSA-N 1 2 385.421 0.378 20 5 GCBDLO Cn1c[nH+]cc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000547864420 1184723320 /nfs/dbraw/zinc/72/33/20/1184723320.db2.gz UZIORMHAILCFOC-UHFFFAOYSA-N 1 2 393.425 0.404 20 5 GCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000109775406 1184810610 /nfs/dbraw/zinc/81/06/10/1184810610.db2.gz YYULUFGPRASDON-UHFFFAOYSA-N 1 2 388.432 0.218 20 5 GCBDLO Cc1c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610425880 1185165368 /nfs/dbraw/zinc/16/53/68/1185165368.db2.gz WVJUPUXGUVDYRB-UHFFFAOYSA-N 1 2 392.393 0.849 20 5 GCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000060332605 1185166198 /nfs/dbraw/zinc/16/61/98/1185166198.db2.gz MGPIPXRNFPOCRI-UHFFFAOYSA-N 1 2 398.485 0.884 20 5 GCBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548091255 1185219780 /nfs/dbraw/zinc/21/97/80/1185219780.db2.gz CPMRFVOOJLXVCJ-CYBMUJFWSA-N 1 2 385.428 0.908 20 5 GCBDLO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000275888568 1185238116 /nfs/dbraw/zinc/23/81/16/1185238116.db2.gz XPUJJSJVWWXREK-CQSZACIVSA-N 1 2 398.485 0.882 20 5 GCBDLO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000262130430 1185381436 /nfs/dbraw/zinc/38/14/36/1185381436.db2.gz YCJDAKFRRVBDEE-CYBMUJFWSA-N 1 2 381.414 0.672 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276001324 1185421123 /nfs/dbraw/zinc/42/11/23/1185421123.db2.gz ZADHEZZYVUMLMT-CYBMUJFWSA-N 1 2 392.412 0.938 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276001324 1185421130 /nfs/dbraw/zinc/42/11/30/1185421130.db2.gz ZADHEZZYVUMLMT-CYBMUJFWSA-N 1 2 392.412 0.938 20 5 GCBDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126664155 1185790448 /nfs/dbraw/zinc/79/04/48/1185790448.db2.gz LTMWPLQEHNKGCT-IYJVBRSBSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126664155 1185790455 /nfs/dbraw/zinc/79/04/55/1185790455.db2.gz LTMWPLQEHNKGCT-IYJVBRSBSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126664606 1185790542 /nfs/dbraw/zinc/79/05/42/1185790542.db2.gz LTMWPLQEHNKGCT-PTFIGZPYSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126664606 1185790546 /nfs/dbraw/zinc/79/05/46/1185790546.db2.gz LTMWPLQEHNKGCT-PTFIGZPYSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176198963 1186257047 /nfs/dbraw/zinc/25/70/47/1186257047.db2.gz ZCSHVODZJGEVCX-HOTGVXAUSA-N 1 2 378.477 0.913 20 5 GCBDLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1cc(N2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000610921232 1186259812 /nfs/dbraw/zinc/25/98/12/1186259812.db2.gz CWWXVRNNFIGRSN-LSDHHAIUSA-N 1 2 378.429 0.951 20 5 GCBDLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1cc(N2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000610921232 1186259818 /nfs/dbraw/zinc/25/98/18/1186259818.db2.gz CWWXVRNNFIGRSN-LSDHHAIUSA-N 1 2 378.429 0.951 20 5 GCBDLO C[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000511051969 1186363654 /nfs/dbraw/zinc/36/36/54/1186363654.db2.gz ZCLUBWNVSBGMDE-CQSZACIVSA-N 1 2 392.460 0.146 20 5 GCBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000478351324 1186513846 /nfs/dbraw/zinc/51/38/46/1186513846.db2.gz YXRNQBWQNQEJNC-CYBMUJFWSA-N 1 2 377.405 0.996 20 5 GCBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000478351324 1186513855 /nfs/dbraw/zinc/51/38/55/1186513855.db2.gz YXRNQBWQNQEJNC-CYBMUJFWSA-N 1 2 377.405 0.996 20 5 GCBDLO CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000277635792 1186546796 /nfs/dbraw/zinc/54/67/96/1186546796.db2.gz SMCQZEJQNUROIC-UHFFFAOYSA-N 1 2 396.429 0.343 20 5 GCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000583798855 1186941596 /nfs/dbraw/zinc/94/15/96/1186941596.db2.gz WLSPPAMZQORSTF-LBPRGKRZSA-N 1 2 393.396 0.981 20 5 GCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000583798855 1186941600 /nfs/dbraw/zinc/94/16/00/1186941600.db2.gz WLSPPAMZQORSTF-LBPRGKRZSA-N 1 2 393.396 0.981 20 5 GCBDLO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000066360086 1187673212 /nfs/dbraw/zinc/67/32/12/1187673212.db2.gz IWODNZDOBMXHDX-UHFFFAOYSA-N 1 2 382.402 0.069 20 5 GCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617779 1189647496 /nfs/dbraw/zinc/64/74/96/1189647496.db2.gz NYBFZROHNNCLKA-IUODEOHRSA-N 1 2 382.442 0.701 20 5 GCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617779 1189647499 /nfs/dbraw/zinc/64/74/99/1189647499.db2.gz NYBFZROHNNCLKA-IUODEOHRSA-N 1 2 382.442 0.701 20 5 GCBDLO CNC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c([N+](=O)[O-])c1 ZINC000053556023 1189753263 /nfs/dbraw/zinc/75/32/63/1189753263.db2.gz HQJLATNMAJUHMU-UHFFFAOYSA-N 1 2 396.411 0.958 20 5 GCBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000566724862 1189798330 /nfs/dbraw/zinc/79/83/30/1189798330.db2.gz JHUNYWCFGHLSPT-UHFFFAOYSA-N 1 2 395.412 0.785 20 5 GCBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000106921066 1189945218 /nfs/dbraw/zinc/94/52/18/1189945218.db2.gz SHKUBHKJIVSCJL-QGZVFWFLSA-N 1 2 389.456 0.563 20 5 GCBDLO Cc1nn(C)c(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000512705170 1193738936 /nfs/dbraw/zinc/73/89/36/1193738936.db2.gz DZKAIKGTXVIYDI-UHFFFAOYSA-N 1 2 385.388 0.276 20 5 GCBDLO Cc1nc2[nH]ccc2c(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000433784278 1193946650 /nfs/dbraw/zinc/94/66/50/1193946650.db2.gz VLTZQRJCEPKFMJ-UHFFFAOYSA-N 1 2 376.398 1.565 20 5 GCBDLO COCC(COC)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000413479695 1194267817 /nfs/dbraw/zinc/26/78/17/1194267817.db2.gz QPKFSJIDMQPVBW-UHFFFAOYSA-N 1 2 388.446 0.026 20 5 GCBDLO Cc1cc(C(=O)NCC(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413963958 1194367163 /nfs/dbraw/zinc/36/71/63/1194367163.db2.gz DJPNWQFQUXYKNR-UHFFFAOYSA-N 1 2 378.429 0.860 20 5 GCBDLO CC1(C)C[N@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000505600703 1194889213 /nfs/dbraw/zinc/88/92/13/1194889213.db2.gz YSPPTSVTXJMDMU-UHFFFAOYSA-N 1 2 393.444 0.621 20 5 GCBDLO CC1(C)C[N@@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000505600703 1194889216 /nfs/dbraw/zinc/88/92/16/1194889216.db2.gz YSPPTSVTXJMDMU-UHFFFAOYSA-N 1 2 393.444 0.621 20 5 GCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000516607099 1195073074 /nfs/dbraw/zinc/07/30/74/1195073074.db2.gz AILYNXBWVYCTTK-LLVKDONJSA-N 1 2 386.430 0.539 20 5 GCBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000516607099 1195073078 /nfs/dbraw/zinc/07/30/78/1195073078.db2.gz AILYNXBWVYCTTK-LLVKDONJSA-N 1 2 386.430 0.539 20 5 GCBDLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440500033 1195521921 /nfs/dbraw/zinc/52/19/21/1195521921.db2.gz ODXXHLJQAKJMCO-LBPRGKRZSA-N 1 2 378.433 0.507 20 5 GCBDLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440500033 1195521924 /nfs/dbraw/zinc/52/19/24/1195521924.db2.gz ODXXHLJQAKJMCO-LBPRGKRZSA-N 1 2 378.433 0.507 20 5 GCBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067377065 1195741169 /nfs/dbraw/zinc/74/11/69/1195741169.db2.gz ULBDDNVYBMSCFK-CZUORRHYSA-N 1 2 396.469 0.961 20 5 GCBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067377065 1195741174 /nfs/dbraw/zinc/74/11/74/1195741174.db2.gz ULBDDNVYBMSCFK-CZUORRHYSA-N 1 2 396.469 0.961 20 5 GCBDLO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000520608594 1195798562 /nfs/dbraw/zinc/79/85/62/1195798562.db2.gz MXLNPKAAOBBSDO-HUUCEWRRSA-N 1 2 392.460 0.931 20 5 GCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C2 ZINC000522003324 1196034639 /nfs/dbraw/zinc/03/46/39/1196034639.db2.gz DTLYTOUMNIJGNO-GFCCVEGCSA-N 1 2 376.417 0.697 20 5 GCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522130019 1196045591 /nfs/dbraw/zinc/04/55/91/1196045591.db2.gz DHNZHZFHCJUGEX-UHFFFAOYSA-N 1 2 387.400 0.041 20 5 GCBDLO NS(=O)(=O)c1ccc(NCCC(=O)N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000522258021 1196068718 /nfs/dbraw/zinc/06/87/18/1196068718.db2.gz QVBXSUBANNRWDG-UHFFFAOYSA-N 1 2 394.413 0.324 20 5 GCBDLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556947 1196141135 /nfs/dbraw/zinc/14/11/35/1196141135.db2.gz HIDNCNYJFHBUHW-GJZGRUSLSA-N 1 2 389.456 0.829 20 5 GCBDLO O=C(CN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000025693474 1196198852 /nfs/dbraw/zinc/19/88/52/1196198852.db2.gz ULQIYPBHLWMSTN-QGZVFWFLSA-N 1 2 392.456 0.575 20 5 GCBDLO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000301084376 1196420966 /nfs/dbraw/zinc/42/09/66/1196420966.db2.gz GQMJSPLXWPIBGQ-UHFFFAOYSA-N 1 2 377.426 0.959 20 5 GCBDLO O=C(C[N@H+](CCO)CCN1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444398394 1196454896 /nfs/dbraw/zinc/45/48/96/1196454896.db2.gz IPOZQAMBYMKLSG-UHFFFAOYSA-N 1 2 378.429 0.110 20 5 GCBDLO O=C(C[N@@H+](CCO)CCN1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444398394 1196454899 /nfs/dbraw/zinc/45/48/99/1196454899.db2.gz IPOZQAMBYMKLSG-UHFFFAOYSA-N 1 2 378.429 0.110 20 5 GCBDLO COC(=O)COc1ccc(C[N@H+](C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000475581308 1196472063 /nfs/dbraw/zinc/47/20/63/1196472063.db2.gz OEKMMMLRXRCYJJ-UHFFFAOYSA-N 1 2 381.385 0.437 20 5 GCBDLO COC(=O)COc1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000475581308 1196472066 /nfs/dbraw/zinc/47/20/66/1196472066.db2.gz OEKMMMLRXRCYJJ-UHFFFAOYSA-N 1 2 381.385 0.437 20 5 GCBDLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489665 1196509497 /nfs/dbraw/zinc/50/94/97/1196509497.db2.gz FPVCWHXBZSYUNF-CQSZACIVSA-N 1 2 392.460 0.849 20 5 GCBDLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489665 1196509500 /nfs/dbraw/zinc/50/95/00/1196509500.db2.gz FPVCWHXBZSYUNF-CQSZACIVSA-N 1 2 392.460 0.849 20 5 GCBDLO CC(C)NS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448822596 1196832703 /nfs/dbraw/zinc/83/27/03/1196832703.db2.gz LFPVIUBQLIPICY-UHFFFAOYSA-N 1 2 381.414 0.838 20 5 GCBDLO CCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448832825 1196833422 /nfs/dbraw/zinc/83/34/22/1196833422.db2.gz FKDWMEIISFSRIZ-UHFFFAOYSA-N 1 2 393.425 0.888 20 5 GCBDLO CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450378436 1196925810 /nfs/dbraw/zinc/92/58/10/1196925810.db2.gz NDBUJQURCWUDDD-ZDUSSCGKSA-N 1 2 393.425 0.934 20 5 GCBDLO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000428501241 1196926418 /nfs/dbraw/zinc/92/64/18/1196926418.db2.gz UQXCKALSSJBMBU-ZDUSSCGKSA-N 1 2 397.428 0.767 20 5 GCBDLO CC(C)(CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+]1CCOCC1 ZINC000454153574 1197333517 /nfs/dbraw/zinc/33/35/17/1197333517.db2.gz PGTVSUMIPVZHEM-UHFFFAOYSA-N 1 2 392.460 0.932 20 5 GCBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000065872470 1199362307 /nfs/dbraw/zinc/36/23/07/1199362307.db2.gz MJOMXNBTNYUDFB-UHFFFAOYSA-N 1 2 385.428 0.735 20 5 GCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301850783 1199458441 /nfs/dbraw/zinc/45/84/41/1199458441.db2.gz WTEFCBHKDWEYGU-UHFFFAOYSA-N 1 2 380.372 0.641 20 5 GCBDLO COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000922754871 1199865700 /nfs/dbraw/zinc/86/57/00/1199865700.db2.gz OYCWIFYLNFMRFF-JTQLQIEISA-N 1 2 376.325 0.615 20 5 GCBDLO CC(C)(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[NH+]1CCOCC1 ZINC000029963981 1199984384 /nfs/dbraw/zinc/98/43/84/1199984384.db2.gz VIKJKYNKHGCLRX-UHFFFAOYSA-N 1 2 390.396 0.418 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746466143 1201926130 /nfs/dbraw/zinc/92/61/30/1201926130.db2.gz BYCOILIYTPDNAF-MHZLTWQESA-N 1 2 398.485 0.928 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000807282544 1205578007 /nfs/dbraw/zinc/57/80/07/1205578007.db2.gz NJQYUGJFDJNFQY-GFCCVEGCSA-N 1 2 378.341 0.537 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807284790 1205578324 /nfs/dbraw/zinc/57/83/24/1205578324.db2.gz OXNYQNIZFCCJFA-SNVBAGLBSA-N 1 2 376.354 0.768 20 5 GCBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809459751 1205625962 /nfs/dbraw/zinc/62/59/62/1205625962.db2.gz BYZXKHCLADIBHR-AWEZNQCLSA-N 1 2 398.423 0.571 20 5 GCBDLO CC(=O)NC1C[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173699001 1205726874 /nfs/dbraw/zinc/72/68/74/1205726874.db2.gz XUHBZPLGJIEASH-UHFFFAOYSA-N 1 2 382.442 0.568 20 5 GCBDLO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC001180054671 1205817331 /nfs/dbraw/zinc/81/73/31/1205817331.db2.gz QSYOWPCTLQUMJE-KBPBESRZSA-N 1 2 397.453 0.670 20 5 GCBDLO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC001180054671 1205817332 /nfs/dbraw/zinc/81/73/32/1205817332.db2.gz QSYOWPCTLQUMJE-KBPBESRZSA-N 1 2 397.453 0.670 20 5 GCBDLO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC001180054672 1205817391 /nfs/dbraw/zinc/81/73/91/1205817391.db2.gz QSYOWPCTLQUMJE-KGLIPLIRSA-N 1 2 397.453 0.670 20 5 GCBDLO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC001180054672 1205817392 /nfs/dbraw/zinc/81/73/92/1205817392.db2.gz QSYOWPCTLQUMJE-KGLIPLIRSA-N 1 2 397.453 0.670 20 5 GCBDLO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC001180054674 1205817560 /nfs/dbraw/zinc/81/75/60/1205817560.db2.gz QSYOWPCTLQUMJE-ZIAGYGMSSA-N 1 2 397.453 0.670 20 5 GCBDLO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC001180054674 1205817561 /nfs/dbraw/zinc/81/75/61/1205817561.db2.gz QSYOWPCTLQUMJE-ZIAGYGMSSA-N 1 2 397.453 0.670 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(OC)c3[N+](=O)[O-])CC2)C1=O ZINC001164641189 719273906 /nfs/dbraw/zinc/27/39/06/719273906.db2.gz TWHPUNYAMHXMAU-UHFFFAOYSA-N 1 2 394.432 0.153 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(OC)c3[N+](=O)[O-])CC2)C1=O ZINC001164641189 719273908 /nfs/dbraw/zinc/27/39/08/719273908.db2.gz TWHPUNYAMHXMAU-UHFFFAOYSA-N 1 2 394.432 0.153 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(OC)n1 ZINC001164706224 719837719 /nfs/dbraw/zinc/83/77/19/719837719.db2.gz XBMKAAXKGLXYQR-YVEFUNNKSA-N 1 2 395.416 0.626 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001164703650 719866645 /nfs/dbraw/zinc/86/66/45/719866645.db2.gz JZNHSWXEKLGDDV-SJKOYZFVSA-N 1 2 379.417 0.805 20 5 GCBDLO Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c([N+](=O)[O-])c1 ZINC001164701690 719934102 /nfs/dbraw/zinc/93/41/02/719934102.db2.gz AOKFMGQOKGTOOH-UHFFFAOYSA-N 1 2 399.455 0.982 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164719740 720237830 /nfs/dbraw/zinc/23/78/30/720237830.db2.gz OMFZQYNBSUCRSG-KRWDZBQOSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164719740 720237835 /nfs/dbraw/zinc/23/78/35/720237835.db2.gz OMFZQYNBSUCRSG-KRWDZBQOSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164719368 720240686 /nfs/dbraw/zinc/24/06/86/720240686.db2.gz LNAHCRMEBONKKB-KRWDZBQOSA-N 1 2 378.433 0.358 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)ncc3[N+](=O)[O-])C2)C1 ZINC001164719368 720240700 /nfs/dbraw/zinc/24/07/00/720240700.db2.gz LNAHCRMEBONKKB-KRWDZBQOSA-N 1 2 378.433 0.358 20 5 GCBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533381385 530125429 /nfs/dbraw/zinc/12/54/29/530125429.db2.gz RNVZMQHHFWBZAP-DZGCQCFKSA-N 1 2 389.861 0.836 20 5 GCBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533381388 530125807 /nfs/dbraw/zinc/12/58/07/530125807.db2.gz RNVZMQHHFWBZAP-ZFWWWQNUSA-N 1 2 389.861 0.836 20 5 GCBDLO C[N@H+](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000543610995 530500670 /nfs/dbraw/zinc/50/06/70/530500670.db2.gz CPGXSOLCCCQWGN-CYBMUJFWSA-N 1 2 387.483 0.922 20 5 GCBDLO C[N@@H+](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000543610995 530500672 /nfs/dbraw/zinc/50/06/72/530500672.db2.gz CPGXSOLCCCQWGN-CYBMUJFWSA-N 1 2 387.483 0.922 20 5 GCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273278212 530803848 /nfs/dbraw/zinc/80/38/48/530803848.db2.gz CXCPUHRGKAUHEZ-GFCCVEGCSA-N 1 2 391.471 0.369 20 5 GCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273278212 530803850 /nfs/dbraw/zinc/80/38/50/530803850.db2.gz CXCPUHRGKAUHEZ-GFCCVEGCSA-N 1 2 391.471 0.369 20 5 GCBDLO NS(=O)(=O)C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273278214 530803925 /nfs/dbraw/zinc/80/39/25/530803925.db2.gz CXCPUHRGKAUHEZ-LBPRGKRZSA-N 1 2 391.471 0.369 20 5 GCBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273278214 530803927 /nfs/dbraw/zinc/80/39/27/530803927.db2.gz CXCPUHRGKAUHEZ-LBPRGKRZSA-N 1 2 391.471 0.369 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416579948 530847420 /nfs/dbraw/zinc/84/74/20/530847420.db2.gz ICPODHHZKQZGGP-SNVBAGLBSA-N 1 2 391.833 0.974 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416579948 530847422 /nfs/dbraw/zinc/84/74/22/530847422.db2.gz ICPODHHZKQZGGP-SNVBAGLBSA-N 1 2 391.833 0.974 20 5 GCBDLO CCn1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC000416644080 530848139 /nfs/dbraw/zinc/84/81/39/530848139.db2.gz JEZIAZNFUJFHQX-UHFFFAOYSA-N 1 2 375.451 0.543 20 5 GCBDLO C[N@H+](CCCS(C)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968906 530875187 /nfs/dbraw/zinc/87/51/87/530875187.db2.gz AQIGKXXHJXWGEU-UHFFFAOYSA-N 1 2 379.460 0.240 20 5 GCBDLO C[N@@H+](CCCS(C)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968906 530875191 /nfs/dbraw/zinc/87/51/91/530875191.db2.gz AQIGKXXHJXWGEU-UHFFFAOYSA-N 1 2 379.460 0.240 20 5 GCBDLO NS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000376726329 530899334 /nfs/dbraw/zinc/89/93/34/530899334.db2.gz RPESOZBCGSZXKR-UHFFFAOYSA-N 1 2 376.822 0.940 20 5 GCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000271045832 530889635 /nfs/dbraw/zinc/88/96/35/530889635.db2.gz RVRZVCQBZGCHJS-UHFFFAOYSA-N 1 2 385.218 0.909 20 5 GCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000271045832 530889637 /nfs/dbraw/zinc/88/96/37/530889637.db2.gz RVRZVCQBZGCHJS-UHFFFAOYSA-N 1 2 385.218 0.909 20 5 GCBDLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824936602 607588221 /nfs/dbraw/zinc/58/82/21/607588221.db2.gz KCWJKZGAYGCSNF-NSHDSACASA-N 1 2 395.445 0.928 20 5 GCBDLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824936602 607588223 /nfs/dbraw/zinc/58/82/23/607588223.db2.gz KCWJKZGAYGCSNF-NSHDSACASA-N 1 2 395.445 0.928 20 5 GCBDLO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825451195 607593934 /nfs/dbraw/zinc/59/39/34/607593934.db2.gz HFVSQECZYPAGQG-JTQLQIEISA-N 1 2 381.418 0.538 20 5 GCBDLO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825451195 607593936 /nfs/dbraw/zinc/59/39/36/607593936.db2.gz HFVSQECZYPAGQG-JTQLQIEISA-N 1 2 381.418 0.538 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCSCC2)c1-c1nn[nH]n1 ZINC000826499962 607614182 /nfs/dbraw/zinc/61/41/82/607614182.db2.gz GMFAQNJPBVKJNO-UHFFFAOYSA-N 1 2 399.458 0.102 20 5 GCBDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000825898037 607735130 /nfs/dbraw/zinc/73/51/30/607735130.db2.gz WNXNYIUPOLADDQ-UHFFFAOYSA-N 1 2 376.421 0.965 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000823647522 606733679 /nfs/dbraw/zinc/73/36/79/606733679.db2.gz LJIHORYRYIABPX-NSHDSACASA-N 1 2 393.429 0.634 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000823647522 606733680 /nfs/dbraw/zinc/73/36/80/606733680.db2.gz LJIHORYRYIABPX-NSHDSACASA-N 1 2 393.429 0.634 20 5 GCBDLO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821623108 606734622 /nfs/dbraw/zinc/73/46/22/606734622.db2.gz CVJCDDTYNNVEDQ-SNVBAGLBSA-N 1 2 381.418 0.490 20 5 GCBDLO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821623108 606734628 /nfs/dbraw/zinc/73/46/28/606734628.db2.gz CVJCDDTYNNVEDQ-SNVBAGLBSA-N 1 2 381.418 0.490 20 5 GCBDLO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821623107 606735209 /nfs/dbraw/zinc/73/52/09/606735209.db2.gz CVJCDDTYNNVEDQ-JTQLQIEISA-N 1 2 381.418 0.490 20 5 GCBDLO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821623107 606735210 /nfs/dbraw/zinc/73/52/10/606735210.db2.gz CVJCDDTYNNVEDQ-JTQLQIEISA-N 1 2 381.418 0.490 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000826500106 608566207 /nfs/dbraw/zinc/56/62/07/608566207.db2.gz LENHGTFEHZMJBR-UHFFFAOYSA-N 1 2 392.401 0.730 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000841556071 642312816 /nfs/dbraw/zinc/31/28/16/642312816.db2.gz XQMOFJRISSVBLT-JTQLQIEISA-N 1 2 375.378 0.459 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000841556071 642312823 /nfs/dbraw/zinc/31/28/23/642312823.db2.gz XQMOFJRISSVBLT-JTQLQIEISA-N 1 2 375.378 0.459 20 5 GCBDLO O=[N+]([O-])c1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000849417083 642648201 /nfs/dbraw/zinc/64/82/01/642648201.db2.gz INAMAQZQWZNHPA-UHFFFAOYSA-N 1 2 375.359 0.934 20 5 GCBDLO NC(=O)c1cn(C2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)nn1 ZINC000500525238 1192638737 /nfs/dbraw/zinc/63/87/37/1192638737.db2.gz MYOQIPXDKSAFHG-UHFFFAOYSA-N 1 2 382.340 0.168 20 5 GCBDLO Cc1c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000051768639 1192911223 /nfs/dbraw/zinc/91/12/23/1192911223.db2.gz ANCDHROPJJNZQH-UHFFFAOYSA-N 1 2 397.501 0.513 20 5 GCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000784915088 1184157381 /nfs/dbraw/zinc/15/73/81/1184157381.db2.gz TVMHZZIGCUNQFU-NSHDSACASA-N 1 2 377.353 0.455 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000430212106 1184287899 /nfs/dbraw/zinc/28/78/99/1184287899.db2.gz ZIWUYKWCVXMXGX-GJZGRUSLSA-N 1 2 385.442 0.191 20 5 GCBDLO 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O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001167470293 1185761267 /nfs/dbraw/zinc/76/12/67/1185761267.db2.gz NRJAGTCYQDZXCI-UHFFFAOYSA-N 1 2 387.396 0.959 20 5 GCBDLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001167470293 1185761270 /nfs/dbraw/zinc/76/12/70/1185761270.db2.gz NRJAGTCYQDZXCI-UHFFFAOYSA-N 1 2 387.396 0.959 20 5 GCBDLO O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000610945909 1185973339 /nfs/dbraw/zinc/97/33/39/1185973339.db2.gz HBUPCMJCRZTDLS-KBPBESRZSA-N 1 2 378.429 0.666 20 5 GCBDLO O=C(C[N@H+]1CC[C@H](CO)C1)Nc1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000610945909 1185973348 /nfs/dbraw/zinc/97/33/48/1185973348.db2.gz HBUPCMJCRZTDLS-KBPBESRZSA-N 1 2 378.429 0.666 20 5 GCBDLO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]([NH3+])c2cscn2)c([N+](=O)[O-])c1 ZINC000581938239 1185997780 /nfs/dbraw/zinc/99/77/80/1185997780.db2.gz BWQMCDAFKMBZFX-CYBMUJFWSA-N 1 2 399.454 0.683 20 5 GCBDLO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000610573085 1186015000 /nfs/dbraw/zinc/01/50/00/1186015000.db2.gz WFNDBCSBSFYQIW-UHFFFAOYSA-N 1 2 385.442 0.839 20 5 GCBDLO O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610924307 1186260328 /nfs/dbraw/zinc/26/03/28/1186260328.db2.gz MJIZLKHGNGXOAS-ZDUSSCGKSA-N 1 2 388.380 0.124 20 5 GCBDLO O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000014674883 1186500093 /nfs/dbraw/zinc/50/00/93/1186500093.db2.gz HXNQESFLRNJYLH-UHFFFAOYSA-N 1 2 395.375 0.935 20 5 GCBDLO Cc1cc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(C)[nH+]1 ZINC000583018679 1186749070 /nfs/dbraw/zinc/74/90/70/1186749070.db2.gz BGIBEMMIJNOIBD-UHFFFAOYSA-N 1 2 398.423 0.967 20 5 GCBDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000157480845 1186926991 /nfs/dbraw/zinc/92/69/91/1186926991.db2.gz KOINBFATJCINJP-HOTGVXAUSA-N 1 2 378.477 0.913 20 5 GCBDLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278638377 1187002448 /nfs/dbraw/zinc/00/24/48/1187002448.db2.gz LUDQTFROEVATNC-PBHICJAKSA-N 1 2 381.429 0.765 20 5 GCBDLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611871388 1187071943 /nfs/dbraw/zinc/07/19/43/1187071943.db2.gz GDXQVVLJKFAXBC-CQSZACIVSA-N 1 2 392.412 0.865 20 5 GCBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376194615 1187664697 /nfs/dbraw/zinc/66/46/97/1187664697.db2.gz HPNIHSIGTPZCJC-WCQYABFASA-N 1 2 398.441 0.177 20 5 GCBDLO CC(C)(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000103100733 1187921565 /nfs/dbraw/zinc/92/15/65/1187921565.db2.gz GIYKAPHNVJWTPH-UHFFFAOYSA-N 1 2 377.405 0.694 20 5 GCBDLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000377750527 1188130116 /nfs/dbraw/zinc/13/01/16/1188130116.db2.gz YPESQNSNRFMYNO-HNNXBMFYSA-N 1 2 376.413 0.566 20 5 GCBDLO C[C@]1(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000377900376 1189366981 /nfs/dbraw/zinc/36/69/81/1189366981.db2.gz GQVJWYRVFMRXLA-QGZVFWFLSA-N 1 2 375.385 0.843 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000416578297 1189553296 /nfs/dbraw/zinc/55/32/96/1189553296.db2.gz GGTDOWNPPVKZAU-NSHDSACASA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000416578297 1189553301 /nfs/dbraw/zinc/55/33/01/1189553301.db2.gz GGTDOWNPPVKZAU-NSHDSACASA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@H+](C)C1 ZINC000416577383 1189555108 /nfs/dbraw/zinc/55/51/08/1189555108.db2.gz FGTKGOLUKJWDET-LLVKDONJSA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@@H+](C)C1 ZINC000416577383 1189555111 /nfs/dbraw/zinc/55/51/11/1189555111.db2.gz FGTKGOLUKJWDET-LLVKDONJSA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[N@H+](C)C1 ZINC000416582209 1189555718 /nfs/dbraw/zinc/55/57/18/1189555718.db2.gz KDARSMNNXXCXAN-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000416582209 1189555721 /nfs/dbraw/zinc/55/57/21/1189555721.db2.gz KDARSMNNXXCXAN-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[N@H+](C)C1 ZINC000416596951 1189559560 /nfs/dbraw/zinc/55/95/60/1189559560.db2.gz YPWWISMTFNWGTB-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[N@@H+](C)C1 ZINC000416596951 1189559563 /nfs/dbraw/zinc/55/95/63/1189559563.db2.gz YPWWISMTFNWGTB-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000105853933 1189755479 /nfs/dbraw/zinc/75/54/79/1189755479.db2.gz LDTPCBUERXIQAE-UHFFFAOYSA-N 1 2 386.408 0.980 20 5 GCBDLO Nc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000299278574 1193778158 /nfs/dbraw/zinc/77/81/58/1193778158.db2.gz YOTJMQBVAKBMPT-UHFFFAOYSA-N 1 2 375.429 0.947 20 5 GCBDLO Nc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000299278574 1193778162 /nfs/dbraw/zinc/77/81/62/1193778162.db2.gz YOTJMQBVAKBMPT-UHFFFAOYSA-N 1 2 375.429 0.947 20 5 GCBDLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1)C(N)=O ZINC000513267605 1193930348 /nfs/dbraw/zinc/93/03/48/1193930348.db2.gz QXUKBWIQJKEIDS-UHFFFAOYSA-N 1 2 391.428 0.286 20 5 GCBDLO Cc1c(-c2nc(Cc3c[nH+]cn3C)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000350213833 1193937224 /nfs/dbraw/zinc/93/72/24/1193937224.db2.gz OSLKACGWUPIWRU-UHFFFAOYSA-N 1 2 378.370 0.925 20 5 GCBDLO C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000509932350 1193960061 /nfs/dbraw/zinc/96/00/61/1193960061.db2.gz WWEPLXLMDJFCDR-ZDUSSCGKSA-N 1 2 391.428 0.072 20 5 GCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420591174 1194248314 /nfs/dbraw/zinc/24/83/14/1194248314.db2.gz WZQYYIOBRZYLCA-UHFFFAOYSA-N 1 2 382.384 0.697 20 5 GCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc[nH+]c1 ZINC000421813752 1194367629 /nfs/dbraw/zinc/36/76/29/1194367629.db2.gz OSCMITJBOIZNIQ-UHFFFAOYSA-N 1 2 396.429 0.411 20 5 GCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503520692 1194686697 /nfs/dbraw/zinc/68/66/97/1194686697.db2.gz IHBOPVMHVSGBIG-LBPRGKRZSA-N 1 2 381.414 0.665 20 5 GCBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000435038824 1194883768 /nfs/dbraw/zinc/88/37/68/1194883768.db2.gz WVZKSJRNKAZGQB-QGZVFWFLSA-N 1 2 392.368 0.321 20 5 GCBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000435038824 1194883770 /nfs/dbraw/zinc/88/37/70/1194883770.db2.gz WVZKSJRNKAZGQB-QGZVFWFLSA-N 1 2 392.368 0.321 20 5 GCBDLO Cc1nn(CCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000473983371 1195740835 /nfs/dbraw/zinc/74/08/35/1195740835.db2.gz LXVYAVQCIAZBFZ-MRXNPFEDSA-N 1 2 395.460 0.748 20 5 GCBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000520868103 1195932217 /nfs/dbraw/zinc/93/22/17/1195932217.db2.gz LJNGPHHFMBTWLS-UHFFFAOYSA-N 1 2 399.407 0.200 20 5 GCBDLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000522268637 1196070834 /nfs/dbraw/zinc/07/08/34/1196070834.db2.gz MFQUIBLJDDRGPH-GFCCVEGCSA-N 1 2 378.385 0.157 20 5 GCBDLO C[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000522268637 1196070836 /nfs/dbraw/zinc/07/08/36/1196070836.db2.gz MFQUIBLJDDRGPH-GFCCVEGCSA-N 1 2 378.385 0.157 20 5 GCBDLO CN1CC[N@H+](C)C[C@H]1c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000546502147 1196380600 /nfs/dbraw/zinc/38/06/00/1196380600.db2.gz SHOXAXYBAZGSJX-AWEZNQCLSA-N 1 2 389.416 0.896 20 5 GCBDLO 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CCCc1n[nH]c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC001626102215 1200264917 /nfs/dbraw/zinc/26/49/17/1200264917.db2.gz YOWXZDWIHBQWQY-UHFFFAOYSA-N 1 2 381.433 0.882 20 5 GCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173432624 1200336828 /nfs/dbraw/zinc/33/68/28/1200336828.db2.gz YAJXCXLIJIURNZ-UHFFFAOYSA-N 1 2 377.445 0.701 20 5 GCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173432624 1200336835 /nfs/dbraw/zinc/33/68/35/1200336835.db2.gz YAJXCXLIJIURNZ-UHFFFAOYSA-N 1 2 377.445 0.701 20 5 GCBDLO CN(CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000463755868 1200656200 /nfs/dbraw/zinc/65/62/00/1200656200.db2.gz OSBFWKRIHJNPQH-UHFFFAOYSA-N 1 2 388.428 1.198 20 5 GCBDLO CNc1nccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000553429133 1200741843 /nfs/dbraw/zinc/74/18/43/1200741843.db2.gz QKULMVIKTKEAIX-UHFFFAOYSA-N 1 2 375.389 0.813 20 5 GCBDLO COC(=O)c1cc(C)nc(NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC000413400406 1200825425 /nfs/dbraw/zinc/82/54/25/1200825425.db2.gz IHBRLQNRUSIYKV-UHFFFAOYSA-N 1 2 394.428 1.378 20 5 GCBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(N3C[C@H](O)[C@@H](C)C3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000611259121 1201227176 /nfs/dbraw/zinc/22/71/76/1201227176.db2.gz DAWURHRYZPDPQM-YIFBXAAPSA-N 1 2 378.429 0.663 20 5 GCBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(N3C[C@H](O)[C@@H](C)C3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000611259121 1201227179 /nfs/dbraw/zinc/22/71/79/1201227179.db2.gz DAWURHRYZPDPQM-YIFBXAAPSA-N 1 2 378.429 0.663 20 5 GCBDLO CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000731143770 1201472034 /nfs/dbraw/zinc/47/20/34/1201472034.db2.gz UYQRDBDVFQCAFR-UHFFFAOYSA-N 1 2 397.413 0.676 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000731609467 1201489925 /nfs/dbraw/zinc/48/99/25/1201489925.db2.gz QZKWOOMDVSFWOE-GFCCVEGCSA-N 1 2 381.385 0.632 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000731636713 1201493669 /nfs/dbraw/zinc/49/36/69/1201493669.db2.gz IKPUSCJPQXBVJD-CYBMUJFWSA-N 1 2 394.428 0.547 20 5 GCBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000771147304 1202126258 /nfs/dbraw/zinc/12/62/58/1202126258.db2.gz QAJDFIQUTWSGEK-AREMUKBSSA-N 1 2 380.470 0.988 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771558034 1202148708 /nfs/dbraw/zinc/14/87/08/1202148708.db2.gz BHRPJCFDEYUIBA-CQSZACIVSA-N 1 2 393.396 0.728 20 5 GCBDLO O=C(NCCO)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000771767375 1202161973 /nfs/dbraw/zinc/16/19/73/1202161973.db2.gz AMKXXIPUPLQOMS-UHFFFAOYSA-N 1 2 387.396 0.741 20 5 GCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000788377689 1205421052 /nfs/dbraw/zinc/42/10/52/1205421052.db2.gz OGHLVERBWFMSQN-AWEZNQCLSA-N 1 2 391.428 0.973 20 5 GCBDLO Nc1cc(COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000791776339 1205480627 /nfs/dbraw/zinc/48/06/27/1205480627.db2.gz FAWODNOBOQPAKN-UHFFFAOYSA-N 1 2 380.382 0.984 20 5 GCBDLO COC(=O)C(C(=O)OC)c1ncc(-n2[nH]c(=O)c(CC[NH3+])c2C)cc1[N+](=O)[O-] ZINC001170339968 1205491096 /nfs/dbraw/zinc/49/10/96/1205491096.db2.gz PFAVOTNNLDNDEU-UHFFFAOYSA-N 1 2 393.356 0.120 20 5 GCBDLO [NH3+]Cc1nc(=O)[nH]n1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693177 1205726357 /nfs/dbraw/zinc/72/63/57/1205726357.db2.gz FJTUDIGMJZKLGL-UHFFFAOYSA-N 1 2 382.402 0.376 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC001176273361 1205745911 /nfs/dbraw/zinc/74/59/11/1205745911.db2.gz NNTXLVCZKBWIAQ-ZDUSSCGKSA-N 1 2 397.428 0.766 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001176720132 1205753297 /nfs/dbraw/zinc/75/32/97/1205753297.db2.gz YKHXRYUELZDQRO-ZDUSSCGKSA-N 1 2 392.412 0.505 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ccc([N+](=O)[O-])c(OC)n3)CC2)C1=O ZINC001164632862 719270371 /nfs/dbraw/zinc/27/03/71/719270371.db2.gz DGDLJFJBRFSPCE-UHFFFAOYSA-N 1 2 393.444 0.758 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc([N+](=O)[O-])c(OC)n3)CC2)C1=O ZINC001164632862 719270372 /nfs/dbraw/zinc/27/03/72/719270372.db2.gz DGDLJFJBRFSPCE-UHFFFAOYSA-N 1 2 393.444 0.758 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001164699473 719854419 /nfs/dbraw/zinc/85/44/19/719854419.db2.gz FNKLBESZEPZUMY-SJKOYZFVSA-N 1 2 395.416 0.626 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001164703654 719866532 /nfs/dbraw/zinc/86/65/32/719866532.db2.gz JZNHSWXEKLGDDV-YVEFUNNKSA-N 1 2 379.417 0.805 20 5 GCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164702388 719938355 /nfs/dbraw/zinc/93/83/55/719938355.db2.gz FQULXMCHKMSEAN-UHFFFAOYSA-N 1 2 385.428 0.674 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OC)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720116 720239057 /nfs/dbraw/zinc/23/90/57/720239057.db2.gz RNAKIOIMZRHXNN-GOSISDBHSA-N 1 2 393.444 0.663 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(OC)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720116 720239062 /nfs/dbraw/zinc/23/90/62/720239062.db2.gz RNAKIOIMZRHXNN-GOSISDBHSA-N 1 2 393.444 0.663 20 5 GCBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533381386 530125732 /nfs/dbraw/zinc/12/57/32/530125732.db2.gz RNVZMQHHFWBZAP-HIFRSBDPSA-N 1 2 389.861 0.836 20 5 GCBDLO O=[N+]([O-])c1cncc(I)c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199384 530160703 /nfs/dbraw/zinc/16/07/03/530160703.db2.gz JAHXQJPDMOCKGK-QMMMGPOBSA-N 1 2 378.170 0.495 20 5 GCBDLO O=[N+]([O-])c1cncc(I)c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199384 530160704 /nfs/dbraw/zinc/16/07/04/530160704.db2.gz JAHXQJPDMOCKGK-QMMMGPOBSA-N 1 2 378.170 0.495 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000614551116 530309905 /nfs/dbraw/zinc/30/99/05/530309905.db2.gz YRVNLKDTRYBEKV-ZANVPECISA-N 1 2 377.394 0.740 20 5 GCBDLO C[N@H+](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000543610997 530500662 /nfs/dbraw/zinc/50/06/62/530500662.db2.gz CPGXSOLCCCQWGN-ZDUSSCGKSA-N 1 2 387.483 0.922 20 5 GCBDLO C[N@@H+](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000543610997 530500663 /nfs/dbraw/zinc/50/06/63/530500663.db2.gz CPGXSOLCCCQWGN-ZDUSSCGKSA-N 1 2 387.483 0.922 20 5 GCBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000265207261 530520138 /nfs/dbraw/zinc/52/01/38/530520138.db2.gz CNYQFIOTSKDGBC-GJZGRUSLSA-N 1 2 389.861 0.836 20 5 GCBDLO CCn1cc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631909 530901601 /nfs/dbraw/zinc/90/16/01/530901601.db2.gz FYFBTQFNUJVGLP-TXEJJXNPSA-N 1 2 375.451 0.589 20 5 GCBDLO CCn1cc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631909 530901603 /nfs/dbraw/zinc/90/16/03/530901603.db2.gz FYFBTQFNUJVGLP-TXEJJXNPSA-N 1 2 375.451 0.589 20 5 GCBDLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000274985871 530902207 /nfs/dbraw/zinc/90/22/07/530902207.db2.gz CGNWZMDVWAJZDT-GFCCVEGCSA-N 1 2 375.472 0.625 20 5 GCBDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595462530 530904966 /nfs/dbraw/zinc/90/49/66/530904966.db2.gz UUZHFMKPYGFHTH-GFCCVEGCSA-N 1 2 376.435 0.764 20 5 GCBDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595462530 530904969 /nfs/dbraw/zinc/90/49/69/530904969.db2.gz UUZHFMKPYGFHTH-GFCCVEGCSA-N 1 2 376.435 0.764 20 5 GCBDLO C[C@](O)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000443254332 530894235 /nfs/dbraw/zinc/89/42/35/530894235.db2.gz SLCHFQQDHBBHFZ-AWEZNQCLSA-N 1 2 377.394 0.095 20 5 GCBDLO C[C@](O)(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000443256694 530894349 /nfs/dbraw/zinc/89/43/49/530894349.db2.gz XEZKAIAFERPRSF-AWEZNQCLSA-N 1 2 393.849 0.610 20 5 GCBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000737163543 598592496 /nfs/dbraw/zinc/59/24/96/598592496.db2.gz YPLVFFKENNNZCW-UHFFFAOYSA-N 1 2 395.445 0.696 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826500385 607589797 /nfs/dbraw/zinc/58/97/97/607589797.db2.gz WPZBEJYZJROOKH-UHFFFAOYSA-N 1 2 381.418 0.539 20 5 GCBDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826138156 608584615 /nfs/dbraw/zinc/58/46/15/608584615.db2.gz HKWOYNFNJCDNNU-UHFFFAOYSA-N 1 2 391.388 0.087 20 5 GCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012239 641815343 /nfs/dbraw/zinc/81/53/43/641815343.db2.gz IWZQCMJDEPJGDL-SECBINFHSA-N 1 2 380.829 0.911 20 5 GCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012239 641815346 /nfs/dbraw/zinc/81/53/46/641815346.db2.gz IWZQCMJDEPJGDL-SECBINFHSA-N 1 2 380.829 0.911 20 5 GCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000112916161 1192208645 /nfs/dbraw/zinc/20/86/45/1192208645.db2.gz LYRIQJNCTVLBPJ-UHFFFAOYSA-N 1 2 380.449 0.653 20 5 GCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000112916161 1192208649 /nfs/dbraw/zinc/20/86/49/1192208649.db2.gz LYRIQJNCTVLBPJ-UHFFFAOYSA-N 1 2 380.449 0.653 20 5 GCBDLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000264877343 1192260433 /nfs/dbraw/zinc/26/04/33/1192260433.db2.gz VQGFMNYIFHTLAL-HNNXBMFYSA-N 1 2 393.425 0.761 20 5 GCBDLO O=C(NCCCn1cc[nH+]c1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000066982512 1192400011 /nfs/dbraw/zinc/40/00/11/1192400011.db2.gz BYZBZPOCRWNZQF-UHFFFAOYSA-N 1 2 396.429 0.459 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279027460 1192441411 /nfs/dbraw/zinc/44/14/11/1192441411.db2.gz AEEXNZBMQLVOAU-CQSZACIVSA-N 1 2 378.429 0.894 20 5 GCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000728908966 1192602649 /nfs/dbraw/zinc/60/26/49/1192602649.db2.gz RLZBXGSGWHHTAI-LBPRGKRZSA-N 1 2 392.416 0.794 20 5 GCBDLO CCS(=O)(=O)NCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000051461599 1192725128 /nfs/dbraw/zinc/72/51/28/1192725128.db2.gz HMQBLAOKDYGHFU-UHFFFAOYSA-N 1 2 381.414 0.840 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000784921804 1184210402 /nfs/dbraw/zinc/21/04/02/1184210402.db2.gz OUVBYWGAWSPFEP-LLVKDONJSA-N 1 2 377.353 0.455 20 5 GCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000275479762 1184683665 /nfs/dbraw/zinc/68/36/65/1184683665.db2.gz UDJWGINVYPJMQQ-LLVKDONJSA-N 1 2 382.442 0.311 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262067366 1185314159 /nfs/dbraw/zinc/31/41/59/1185314159.db2.gz RSQLOYLIZLSVQO-GFCCVEGCSA-N 1 2 381.414 0.672 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000276007111 1185440742 /nfs/dbraw/zinc/44/07/42/1185440742.db2.gz ZWHFHYJOKPXZDC-ZDUSSCGKSA-N 1 2 392.412 0.938 20 5 GCBDLO 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C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126663926 1185790597 /nfs/dbraw/zinc/79/05/97/1185790597.db2.gz LTMWPLQEHNKGCT-RMKBEBRYSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126663926 1185790600 /nfs/dbraw/zinc/79/06/00/1185790600.db2.gz LTMWPLQEHNKGCT-RMKBEBRYSA-N 1 2 382.486 0.942 20 5 GCBDLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000157480696 1185881407 /nfs/dbraw/zinc/88/14/07/1185881407.db2.gz KOINBFATJCINJP-IYBDPMFKSA-N 1 2 378.477 0.913 20 5 GCBDLO O=C(CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc21 ZINC000176210400 1186256617 /nfs/dbraw/zinc/25/66/17/1186256617.db2.gz JTSQPMYZUDKGSX-UHFFFAOYSA-N 1 2 384.440 0.998 20 5 GCBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000551327902 1186410466 /nfs/dbraw/zinc/41/04/66/1186410466.db2.gz AXIZSHPZHORTCX-HUUCEWRRSA-N 1 2 377.397 0.840 20 5 GCBDLO 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Cn1cc[nH+]c1CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001626062943 1199055703 /nfs/dbraw/zinc/05/57/03/1199055703.db2.gz HVZGAXUIZIHVMU-UHFFFAOYSA-N 1 2 381.414 0.356 20 5 GCBDLO Cc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000091811723 1199780819 /nfs/dbraw/zinc/78/08/19/1199780819.db2.gz JZMGVZVIIHDIMD-UHFFFAOYSA-N 1 2 397.501 0.513 20 5 GCBDLO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000555559884 1199890327 /nfs/dbraw/zinc/89/03/27/1199890327.db2.gz YSAKPVRKCOIARD-GHMZBOCLSA-N 1 2 386.430 0.081 20 5 GCBDLO Cc1cccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000302463479 1199922019 /nfs/dbraw/zinc/92/20/19/1199922019.db2.gz AWGBKQPJXSCTFL-UHFFFAOYSA-N 1 2 383.474 0.517 20 5 GCBDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031824753 1200113796 /nfs/dbraw/zinc/11/37/96/1200113796.db2.gz MKWIKTJYCGEFDC-UHFFFAOYSA-N 1 2 389.387 0.974 20 5 GCBDLO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173195876 1200323563 /nfs/dbraw/zinc/32/35/63/1200323563.db2.gz IMYLMLIJWRMWHR-MRXNPFEDSA-N 1 2 380.449 0.812 20 5 GCBDLO Cc1nn(CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)c1[N+](=O)[O-] ZINC000609428623 1201045608 /nfs/dbraw/zinc/04/56/08/1201045608.db2.gz YQRBWDQDKFBICV-UHFFFAOYSA-N 1 2 391.432 0.966 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746469054 1201925197 /nfs/dbraw/zinc/92/51/97/1201925197.db2.gz KGXHUUQPWDQEGB-CEXHIMGSSA-N 1 2 398.485 0.927 20 5 GCBDLO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000746464543 1201925814 /nfs/dbraw/zinc/92/58/14/1201925814.db2.gz CWLURLVIAWQRDO-JGTBNHKDSA-N 1 2 398.485 0.927 20 5 GCBDLO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000746464547 1201926245 /nfs/dbraw/zinc/92/62/45/1201926245.db2.gz CWLURLVIAWQRDO-QWVSSGJLSA-N 1 2 398.485 0.927 20 5 GCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000766972287 1201963652 /nfs/dbraw/zinc/96/36/52/1201963652.db2.gz NAXLOIRQABRMIA-UHFFFAOYSA-N 1 2 393.425 0.891 20 5 GCBDLO C[C@@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000770730224 1202108492 /nfs/dbraw/zinc/10/84/92/1202108492.db2.gz WPJOVQFFQIEHHO-SKDRFNHKSA-N 1 2 396.356 0.723 20 5 GCBDLO C[C@@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000770730224 1202108494 /nfs/dbraw/zinc/10/84/94/1202108494.db2.gz WPJOVQFFQIEHHO-SKDRFNHKSA-N 1 2 396.356 0.723 20 5 GCBDLO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](CC[S@](C)=O)CC3)cc2n(C)c1=O ZINC000804498557 1205516877 /nfs/dbraw/zinc/51/68/77/1205516877.db2.gz QLANTCYCVBPVPB-SANMLTNESA-N 1 2 381.458 0.286 20 5 GCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807284789 1205578314 /nfs/dbraw/zinc/57/83/14/1205578314.db2.gz OXNYQNIZFCCJFA-JTQLQIEISA-N 1 2 376.354 0.768 20 5 GCBDLO Cn1c(=O)cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n(C)c1=O ZINC000808786211 1205612073 /nfs/dbraw/zinc/61/20/73/1205612073.db2.gz JWTDAEXYNDUYML-UHFFFAOYSA-N 1 2 385.336 0.535 20 5 GCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH+]2CC3(C2)CS(=O)C3)CC1 ZINC001173695086 1205726632 /nfs/dbraw/zinc/72/66/32/1205726632.db2.gz ASXQADMURHJNDJ-UHFFFAOYSA-N 1 2 399.494 0.812 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001176720131 1205753230 /nfs/dbraw/zinc/75/32/30/1205753230.db2.gz YKHXRYUELZDQRO-CYBMUJFWSA-N 1 2 392.412 0.505 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1=O ZINC001164634666 719272374 /nfs/dbraw/zinc/27/23/74/719272374.db2.gz LAGSHFLECJJZNX-UHFFFAOYSA-N 1 2 381.408 0.888 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1=O ZINC001164634666 719272378 /nfs/dbraw/zinc/27/23/78/719272378.db2.gz LAGSHFLECJJZNX-UHFFFAOYSA-N 1 2 381.408 0.888 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164642223 719276710 /nfs/dbraw/zinc/27/67/10/719276710.db2.gz YWQJNTLULZFMEN-UHFFFAOYSA-N 1 2 378.433 0.331 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164642223 719276713 /nfs/dbraw/zinc/27/67/13/719276713.db2.gz YWQJNTLULZFMEN-UHFFFAOYSA-N 1 2 378.433 0.331 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)C1=O ZINC001164639149 719279368 /nfs/dbraw/zinc/27/93/68/719279368.db2.gz IMMBTNSHEOZPDA-UHFFFAOYSA-N 1 2 378.433 0.331 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)C1=O ZINC001164639149 719279370 /nfs/dbraw/zinc/27/93/70/719279370.db2.gz IMMBTNSHEOZPDA-UHFFFAOYSA-N 1 2 378.433 0.331 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(OC)n1 ZINC001164706222 719837925 /nfs/dbraw/zinc/83/79/25/719837925.db2.gz XBMKAAXKGLXYQR-SJKOYZFVSA-N 1 2 395.416 0.626 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164706172 719839716 /nfs/dbraw/zinc/83/97/16/719839716.db2.gz WOHUPDAASFHLOF-YOEHRIQHSA-N 1 2 380.401 0.461 20 5 GCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001164698375 719851307 /nfs/dbraw/zinc/85/13/07/719851307.db2.gz BUYVDQNKWACCEW-DYVFJYSZSA-N 1 2 379.417 0.926 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(OC)c1[N+](=O)[O-] ZINC001164699474 719854480 /nfs/dbraw/zinc/85/44/80/719854480.db2.gz FNKLBESZEPZUMY-YVEFUNNKSA-N 1 2 395.416 0.626 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001164702960 719876321 /nfs/dbraw/zinc/87/63/21/719876321.db2.gz JJDNCWOSPVHZJC-GUYCJALGSA-N 1 2 379.417 0.926 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164720334 720227124 /nfs/dbraw/zinc/22/71/24/720227124.db2.gz YPZOILWSHNVGSG-GOSISDBHSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164720334 720227136 /nfs/dbraw/zinc/22/71/36/720227136.db2.gz YPZOILWSHNVGSG-GOSISDBHSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164719344 720249129 /nfs/dbraw/zinc/24/91/29/720249129.db2.gz LCEOOOMFXXPFFG-KRWDZBQOSA-N 1 2 394.432 0.058 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164719344 720249133 /nfs/dbraw/zinc/24/91/33/720249133.db2.gz LCEOOOMFXXPFFG-KRWDZBQOSA-N 1 2 394.432 0.058 20 5 GCBDLO CC(C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000820020255 945331059 /nfs/dbraw/zinc/33/10/59/945331059.db2.gz CIVRXIIJETZMTI-ZDUSSCGKSA-N 1 2 375.437 0.854 20 5 GCBDLO CC(C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000820020255 945331070 /nfs/dbraw/zinc/33/10/70/945331070.db2.gz CIVRXIIJETZMTI-ZDUSSCGKSA-N 1 2 375.437 0.854 20 5 GCBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000825407055 947178431 /nfs/dbraw/zinc/17/84/31/947178431.db2.gz XHMQGGDLYYUVAJ-UHFFFAOYSA-N 1 2 388.432 0.765 20 5 GCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285146439 530218634 /nfs/dbraw/zinc/21/86/34/530218634.db2.gz KNKTZJZCPXDAID-JTQLQIEISA-N 1 2 380.829 0.911 20 5 GCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285146439 530218635 /nfs/dbraw/zinc/21/86/35/530218635.db2.gz KNKTZJZCPXDAID-JTQLQIEISA-N 1 2 380.829 0.911 20 5 GCBDLO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000146863852 530305397 /nfs/dbraw/zinc/30/53/97/530305397.db2.gz SLYFJQIUFVRATR-UHFFFAOYSA-N 1 2 390.849 0.691 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000267577922 530585575 /nfs/dbraw/zinc/58/55/75/530585575.db2.gz YIFFBMFWWKASJJ-LLVKDONJSA-N 1 2 375.223 0.882 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000026975725 530773615 /nfs/dbraw/zinc/77/36/15/530773615.db2.gz AFGMBHMBCNPLHF-UHFFFAOYSA-N 1 2 390.849 0.737 20 5 GCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Cl)c1 ZINC000273052243 530801003 /nfs/dbraw/zinc/80/10/03/530801003.db2.gz YQMCUCJVHQGCKT-CABCVRRESA-N 1 2 389.861 0.836 20 5 GCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Cl)c1 ZINC000273052245 530801282 /nfs/dbraw/zinc/80/12/82/530801282.db2.gz YQMCUCJVHQGCKT-HUUCEWRRSA-N 1 2 389.861 0.836 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593651773 530823565 /nfs/dbraw/zinc/82/35/65/530823565.db2.gz QXTJQGSMXBIWJO-SNVBAGLBSA-N 1 2 375.378 0.182 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593651773 530823567 /nfs/dbraw/zinc/82/35/67/530823567.db2.gz QXTJQGSMXBIWJO-SNVBAGLBSA-N 1 2 375.378 0.182 20 5 GCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000270965727 530888432 /nfs/dbraw/zinc/88/84/32/530888432.db2.gz HHVPKBCSMQYJIJ-UHFFFAOYSA-N 1 2 385.218 0.909 20 5 GCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000270965727 530888434 /nfs/dbraw/zinc/88/84/34/530888434.db2.gz HHVPKBCSMQYJIJ-UHFFFAOYSA-N 1 2 385.218 0.909 20 5 GCBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000491763140 530930763 /nfs/dbraw/zinc/93/07/63/530930763.db2.gz RJKRNYSUJVPJDT-HIFRSBDPSA-N 1 2 389.861 0.836 20 5 GCBDLO Cc1sc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000467075197 530914421 /nfs/dbraw/zinc/91/44/21/530914421.db2.gz OHZWXVIBLZUVBH-ZDUSSCGKSA-N 1 2 379.460 0.326 20 5 GCBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000738373891 599124983 /nfs/dbraw/zinc/12/49/83/599124983.db2.gz JMWCFXAYHYOKRP-UHFFFAOYSA-N 1 2 387.379 0.933 20 5 GCBDLO CN1CC[NH+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736863638 599261492 /nfs/dbraw/zinc/26/14/92/599261492.db2.gz MTVQATGHCZEZNF-UHFFFAOYSA-N 1 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CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280783331 1195470645 /nfs/dbraw/zinc/47/06/45/1195470645.db2.gz KGKCLAROFLUYDN-UHFFFAOYSA-N 1 2 378.429 0.952 20 5 GCBDLO CCc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000519774357 1195568898 /nfs/dbraw/zinc/56/88/98/1195568898.db2.gz YRFYAOXJHJEEHL-UHFFFAOYSA-N 1 2 384.458 0.646 20 5 GCBDLO CC[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428077925 1195910441 /nfs/dbraw/zinc/91/04/41/1195910441.db2.gz PYEYAEJLZVWUBP-HNNXBMFYSA-N 1 2 378.429 0.860 20 5 GCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 ZINC000428077925 1195910443 /nfs/dbraw/zinc/91/04/43/1195910443.db2.gz PYEYAEJLZVWUBP-HNNXBMFYSA-N 1 2 378.429 0.860 20 5 GCBDLO CC[C@H]1C[N@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428078204 1195910565 /nfs/dbraw/zinc/91/05/65/1195910565.db2.gz MPWHFHWVWKTQKB-INIZCTEOSA-N 1 2 393.444 0.621 20 5 GCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428078204 1195910566 /nfs/dbraw/zinc/91/05/66/1195910566.db2.gz MPWHFHWVWKTQKB-INIZCTEOSA-N 1 2 393.444 0.621 20 5 GCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000521581005 1196004521 /nfs/dbraw/zinc/00/45/21/1196004521.db2.gz RBGGDQNDEVCLIG-UHFFFAOYSA-N 1 2 390.400 0.214 20 5 GCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C2 ZINC000522003328 1196034781 /nfs/dbraw/zinc/03/47/81/1196034781.db2.gz DTLYTOUMNIJGNO-LBPRGKRZSA-N 1 2 376.417 0.697 20 5 GCBDLO CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000522205259 1196060417 /nfs/dbraw/zinc/06/04/17/1196060417.db2.gz OKTQVQXBBYXCDG-ZDUSSCGKSA-N 1 2 393.425 0.934 20 5 GCBDLO COc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000267670504 1196115862 /nfs/dbraw/zinc/11/58/62/1196115862.db2.gz LDJSTNQFEZLBFI-GFCCVEGCSA-N 1 2 383.401 0.377 20 5 GCBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000475443628 1196424359 /nfs/dbraw/zinc/42/43/59/1196424359.db2.gz KZSHAZXQDDTYLH-UHFFFAOYSA-N 1 2 388.384 0.701 20 5 GCBDLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000440485646 1196509288 /nfs/dbraw/zinc/50/92/88/1196509288.db2.gz ISSLLJBWLGKSTE-GFCCVEGCSA-N 1 2 395.445 0.188 20 5 GCBDLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000440485646 1196509290 /nfs/dbraw/zinc/50/92/90/1196509290.db2.gz ISSLLJBWLGKSTE-GFCCVEGCSA-N 1 2 395.445 0.188 20 5 GCBDLO C[C@H]1C[N@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523481814 1196528241 /nfs/dbraw/zinc/52/82/41/1196528241.db2.gz MDTJKOIOMDUXBJ-ZDUSSCGKSA-N 1 2 379.417 0.231 20 5 GCBDLO C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523481814 1196528242 /nfs/dbraw/zinc/52/82/42/1196528242.db2.gz MDTJKOIOMDUXBJ-ZDUSSCGKSA-N 1 2 379.417 0.231 20 5 GCBDLO NC(=O)[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000523935222 1196567962 /nfs/dbraw/zinc/56/79/62/1196567962.db2.gz RYQWADVAXHEOIW-HNNXBMFYSA-N 1 2 378.410 0.689 20 5 GCBDLO CC(C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+]1CCN(C)CC1 ZINC000525193805 1196657163 /nfs/dbraw/zinc/65/71/63/1196657163.db2.gz SZIXFGSETZQWPL-HNNXBMFYSA-N 1 2 385.490 0.926 20 5 GCBDLO C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+]1CCOCC1 ZINC000450030218 1196909104 /nfs/dbraw/zinc/90/91/04/1196909104.db2.gz WCCCDTSEJZWWBW-SFHVURJKSA-N 1 2 389.412 0.594 20 5 GCBDLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450207687 1196920600 /nfs/dbraw/zinc/92/06/00/1196920600.db2.gz GSOYQMUBYPEJDT-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000273462226 1199006413 /nfs/dbraw/zinc/00/64/13/1199006413.db2.gz BPHKWSABMPBFIJ-ZDUSSCGKSA-N 1 2 385.442 0.994 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000273462226 1199006416 /nfs/dbraw/zinc/00/64/16/1199006416.db2.gz BPHKWSABMPBFIJ-ZDUSSCGKSA-N 1 2 385.442 0.994 20 5 GCBDLO CCNC(=O)CN1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000117334829 1199679025 /nfs/dbraw/zinc/67/90/25/1199679025.db2.gz GEMHBMNDQZCPAW-UHFFFAOYSA-N 1 2 391.428 0.647 20 5 GCBDLO O=C(NC1CCCCC1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173195887 1200323071 /nfs/dbraw/zinc/32/30/71/1200323071.db2.gz IMYLMLIJWRMWHR-INIZCTEOSA-N 1 2 380.449 0.812 20 5 GCBDLO Nc1nsc(N2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000542212293 1201174081 /nfs/dbraw/zinc/17/40/81/1201174081.db2.gz KYVHEUQOFFHHDZ-NSHDSACASA-N 1 2 380.430 0.590 20 5 GCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000731609468 1201490172 /nfs/dbraw/zinc/49/01/72/1201490172.db2.gz QZKWOOMDVSFWOE-LBPRGKRZSA-N 1 2 381.385 0.632 20 5 GCBDLO CCCc1n[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000731838883 1201506327 /nfs/dbraw/zinc/50/63/27/1201506327.db2.gz OBBHHKRJLPXPTO-UHFFFAOYSA-N 1 2 387.462 0.509 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746468704 1201925156 /nfs/dbraw/zinc/92/51/56/1201925156.db2.gz PUENZLJJASDFJF-AREMUKBSSA-N 1 2 384.458 0.538 20 5 GCBDLO COC(=O)C(C(=O)OC)c1cc(NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001169660845 1201953878 /nfs/dbraw/zinc/95/38/78/1201953878.db2.gz RJSPEZDRKNMSBP-GFCCVEGCSA-N 1 2 381.385 0.767 20 5 GCBDLO COC(=O)C(C(=O)OC)c1cc(NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001169660845 1201953880 /nfs/dbraw/zinc/95/38/80/1201953880.db2.gz RJSPEZDRKNMSBP-GFCCVEGCSA-N 1 2 381.385 0.767 20 5 GCBDLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000768155903 1202004149 /nfs/dbraw/zinc/00/41/49/1202004149.db2.gz HUNBKTBWKRWLKE-UHFFFAOYSA-N 1 2 396.469 0.912 20 5 GCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000788602837 1205426390 /nfs/dbraw/zinc/42/63/90/1205426390.db2.gz CURHSNKZEYTPIZ-AWEZNQCLSA-N 1 2 385.340 0.344 20 5 GCBDLO CN(CC(=O)OCCc1c[nH+]cn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000793248768 1205497226 /nfs/dbraw/zinc/49/72/26/1205497226.db2.gz DNMBCUNBYKCWMI-UHFFFAOYSA-N 1 2 382.398 0.735 20 5 GCBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000804443932 1205516083 /nfs/dbraw/zinc/51/60/83/1205516083.db2.gz LZVOVXRCJLVRRD-UHFFFAOYSA-N 1 2 386.430 0.697 20 5 GCBDLO CC(=O)N1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173695675 1205726755 /nfs/dbraw/zinc/72/67/55/1205726755.db2.gz IXUBIJKZAHOCRI-UHFFFAOYSA-N 1 2 396.469 0.912 20 5 GCBDLO COC(=O)[C@@H]1C[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001176903090 1205758550 /nfs/dbraw/zinc/75/85/50/1205758550.db2.gz VAEGYTQMFIVYHC-LERXQTSPSA-N 1 2 379.369 0.816 20 5 GCBDLO 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NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000361504989 530226925 /nfs/dbraw/zinc/22/69/25/530226925.db2.gz SWJHWDYSZIFTPI-UHFFFAOYSA-N 1 2 385.218 0.991 20 5 GCBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000361504989 530226927 /nfs/dbraw/zinc/22/69/27/530226927.db2.gz SWJHWDYSZIFTPI-UHFFFAOYSA-N 1 2 385.218 0.991 20 5 GCBDLO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518620443 530217296 /nfs/dbraw/zinc/21/72/96/530217296.db2.gz QWGZMDDVZOUXJZ-LLVKDONJSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518620443 530217299 /nfs/dbraw/zinc/21/72/99/530217299.db2.gz QWGZMDDVZOUXJZ-LLVKDONJSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000584358771 530360490 /nfs/dbraw/zinc/36/04/90/530360490.db2.gz GVPGAEQLBVBQFS-ZDUSSCGKSA-N 1 2 387.190 0.530 20 5 GCBDLO NS(=O)(=O)CC[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000266192808 530457338 /nfs/dbraw/zinc/45/73/38/530457338.db2.gz GSPHXABIBBJRIG-UHFFFAOYSA-N 1 2 393.263 0.768 20 5 GCBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000265207259 530520236 /nfs/dbraw/zinc/52/02/36/530520236.db2.gz CNYQFIOTSKDGBC-CABCVRRESA-N 1 2 389.861 0.836 20 5 GCBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000266910838 530567073 /nfs/dbraw/zinc/56/70/73/530567073.db2.gz CWHPGRHHZUNADW-ZFWWWQNUSA-N 1 2 389.861 0.836 20 5 GCBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)S1 ZINC000267270239 530574040 /nfs/dbraw/zinc/57/40/40/530574040.db2.gz ZJNZQASPQQRWEU-SNVBAGLBSA-N 1 2 385.471 0.856 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000268516230 530686979 /nfs/dbraw/zinc/68/69/79/530686979.db2.gz YKUMRKVLAHXJBS-LLVKDONJSA-N 1 2 375.223 0.882 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416592852 530847155 /nfs/dbraw/zinc/84/71/55/530847155.db2.gz 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GCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)s1 ZINC000443258224 530893866 /nfs/dbraw/zinc/89/38/66/530893866.db2.gz UJBSGTUKACWZPT-UHFFFAOYSA-N 1 2 392.503 0.325 20 5 GCBDLO C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000443256948 530894286 /nfs/dbraw/zinc/89/42/86/530894286.db2.gz ZNODAZSNEUUGAM-CQSZACIVSA-N 1 2 393.849 0.610 20 5 GCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492197131 530931977 /nfs/dbraw/zinc/93/19/77/530931977.db2.gz YGHOUNKFANNDBJ-UHFFFAOYSA-N 1 2 380.162 0.913 20 5 GCBDLO Cc1sc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000467425388 530915350 /nfs/dbraw/zinc/91/53/50/530915350.db2.gz ZHJLMQHBCIAWDG-UHFFFAOYSA-N 1 2 390.487 0.796 20 5 GCBDLO CC(C)(CNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000054919332 530999842 /nfs/dbraw/zinc/99/98/42/530999842.db2.gz XRPOYYFJDZNYRL-UHFFFAOYSA-N 1 2 390.238 0.781 20 5 GCBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736596906 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381.418 0.490 20 5 GCBDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1C ZINC000825465417 607819383 /nfs/dbraw/zinc/81/93/83/607819383.db2.gz LAHQLSBWLKZBSJ-SNVBAGLBSA-N 1 2 381.418 0.490 20 5 GCBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826501783 608061813 /nfs/dbraw/zinc/06/18/13/608061813.db2.gz HAQAFDZVQPKIBO-UHFFFAOYSA-N 1 2 397.399 0.154 20 5 GCBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@H+]1C ZINC000824857114 608156718 /nfs/dbraw/zinc/15/67/18/608156718.db2.gz AZYJCZYISVBZHK-ZJUUUORDSA-N 1 2 381.418 0.488 20 5 GCBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824857114 608156719 /nfs/dbraw/zinc/15/67/19/608156719.db2.gz AZYJCZYISVBZHK-ZJUUUORDSA-N 1 2 381.418 0.488 20 5 GCBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1C ZINC000825453242 608238362 /nfs/dbraw/zinc/23/83/62/608238362.db2.gz UQOQEYCBULIOGH-WDEREUQCSA-N 1 2 395.445 0.878 20 5 GCBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1C ZINC000825453242 608238364 /nfs/dbraw/zinc/23/83/64/608238364.db2.gz UQOQEYCBULIOGH-WDEREUQCSA-N 1 2 395.445 0.878 20 5 GCBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768838487 640762044 /nfs/dbraw/zinc/76/20/44/640762044.db2.gz VBNZUIZVKBRKRH-UHFFFAOYSA-N 1 2 376.460 0.487 20 5 GCBDLO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000279740310 1192596401 /nfs/dbraw/zinc/59/64/01/1192596401.db2.gz OQHWTDRZYNNUHJ-GFCCVEGCSA-N 1 2 380.401 0.915 20 5 GCBDLO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000279740310 1192596406 /nfs/dbraw/zinc/59/64/06/1192596406.db2.gz OQHWTDRZYNNUHJ-GFCCVEGCSA-N 1 2 380.401 0.915 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000430212105 1184288162 /nfs/dbraw/zinc/28/81/62/1184288162.db2.gz ZIWUYKWCVXMXGX-CABCVRRESA-N 1 2 385.442 0.191 20 5 GCBDLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000547758369 1184488227 /nfs/dbraw/zinc/48/82/27/1184488227.db2.gz SXFQMRYTRJWIOP-UHFFFAOYSA-N 1 2 375.385 0.959 20 5 GCBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275901097 1185258097 /nfs/dbraw/zinc/25/80/97/1185258097.db2.gz ZJCLULHTAITJJP-GFCCVEGCSA-N 1 2 388.446 0.280 20 5 GCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276126917 1185589555 /nfs/dbraw/zinc/58/95/55/1185589555.db2.gz SUDDDLBDPCWJLE-AWEZNQCLSA-N 1 2 394.428 0.302 20 5 GCBDLO CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000610584184 1186052326 /nfs/dbraw/zinc/05/23/26/1186052326.db2.gz BQBNACBMTRVOGO-HNNXBMFYSA-N 1 2 398.379 0.889 20 5 GCBDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000276816756 1186087351 /nfs/dbraw/zinc/08/73/51/1186087351.db2.gz FCISQTWFLPKSIW-UHFFFAOYSA-N 1 2 378.385 0.792 20 5 GCBDLO CN1CCN(S(=O)(=O)c2ccc(NCCn3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000025347388 1186150453 /nfs/dbraw/zinc/15/04/53/1186150453.db2.gz VSERWXLCJQGJAL-UHFFFAOYSA-N 1 2 394.457 0.840 20 5 GCBDLO CCn1c(N)c(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC000511081456 1186430313 /nfs/dbraw/zinc/43/03/13/1186430313.db2.gz NGUJTZMKPRLKLV-UHFFFAOYSA-N 1 2 375.385 0.816 20 5 GCBDLO CCn1c(N)c(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC000511081456 1186430316 /nfs/dbraw/zinc/43/03/16/1186430316.db2.gz NGUJTZMKPRLKLV-UHFFFAOYSA-N 1 2 375.385 0.816 20 5 GCBDLO Cn1cc([C@@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277617370 1186538536 /nfs/dbraw/zinc/53/85/36/1186538536.db2.gz ADQFIJOEIYJCLL-YOEHRIQHSA-N 1 2 394.453 0.810 20 5 GCBDLO Cn1cc([C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277617370 1186538540 /nfs/dbraw/zinc/53/85/40/1186538540.db2.gz ADQFIJOEIYJCLL-YOEHRIQHSA-N 1 2 394.453 0.810 20 5 GCBDLO CCCc1[nH]nc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000478986613 1186547673 /nfs/dbraw/zinc/54/76/73/1186547673.db2.gz MOVWUEBODQWXLO-CYBMUJFWSA-N 1 2 381.433 0.834 20 5 GCBDLO CCCc1n[nH]c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000478986613 1186547678 /nfs/dbraw/zinc/54/76/78/1186547678.db2.gz MOVWUEBODQWXLO-CYBMUJFWSA-N 1 2 381.433 0.834 20 5 GCBDLO Cn1c[nH+]cc1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000291791479 1186563786 /nfs/dbraw/zinc/56/37/86/1186563786.db2.gz GTFGSUOGNNPSSF-UHFFFAOYSA-N 1 2 382.402 0.106 20 5 GCBDLO O=[N+]([O-])c1cccnc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052100309 1186769629 /nfs/dbraw/zinc/76/96/29/1186769629.db2.gz SOLPDKKTXGWBPK-UHFFFAOYSA-N 1 2 392.441 0.949 20 5 GCBDLO O=C(C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000052282600 1186829764 /nfs/dbraw/zinc/82/97/64/1186829764.db2.gz BBFMMAGBDHQPKZ-UHFFFAOYSA-N 1 2 376.413 0.140 20 5 GCBDLO CCc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000584288853 1187026738 /nfs/dbraw/zinc/02/67/38/1187026738.db2.gz ILMDZTOFCRGILN-UHFFFAOYSA-N 1 2 398.485 0.988 20 5 GCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000276236222 1187497759 /nfs/dbraw/zinc/49/77/59/1187497759.db2.gz PPEQNTJBIGZCET-UHFFFAOYSA-N 1 2 387.414 0.070 20 5 GCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000276236222 1187497763 /nfs/dbraw/zinc/49/77/63/1187497763.db2.gz PPEQNTJBIGZCET-UHFFFAOYSA-N 1 2 387.414 0.070 20 5 GCBDLO NC(=O)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066393934 1187688334 /nfs/dbraw/zinc/68/83/34/1187688334.db2.gz JYBDJVZTMULMHY-HNNXBMFYSA-N 1 2 378.410 0.689 20 5 GCBDLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000581112161 1187708587 /nfs/dbraw/zinc/70/85/87/1187708587.db2.gz DGZNXRDOSGEBTB-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO Cn1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180485635 1187846232 /nfs/dbraw/zinc/84/62/32/1187846232.db2.gz KOTBWCWFOFAGEJ-OAHLLOKOSA-N 1 2 384.396 0.138 20 5 GCBDLO Cn1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180485635 1187846237 /nfs/dbraw/zinc/84/62/37/1187846237.db2.gz KOTBWCWFOFAGEJ-OAHLLOKOSA-N 1 2 384.396 0.138 20 5 GCBDLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000103122421 1189410522 /nfs/dbraw/zinc/41/05/22/1189410522.db2.gz RCEXCWBPXQLWIZ-UHFFFAOYSA-N 1 2 386.412 0.851 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416373182 1189503046 /nfs/dbraw/zinc/50/30/46/1189503046.db2.gz PRKMXPGXNZGJID-UHFFFAOYSA-N 1 2 384.458 0.700 20 5 GCBDLO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378476260 1189516515 /nfs/dbraw/zinc/51/65/15/1189516515.db2.gz QOKRQYFFZOUMFB-OAHLLOKOSA-N 1 2 390.440 0.978 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378592127 1189544999 /nfs/dbraw/zinc/54/49/99/1189544999.db2.gz CEOHXUHWBVBPNN-KBPBESRZSA-N 1 2 385.442 0.823 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+](C)C1 ZINC000416580141 1189555219 /nfs/dbraw/zinc/55/52/19/1189555219.db2.gz IHMRJURSMXVOGP-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+](C)C1 ZINC000416580141 1189555222 /nfs/dbraw/zinc/55/52/22/1189555222.db2.gz IHMRJURSMXVOGP-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COc1cc(C[NH2+][C@@]2(C(N)=O)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000566418833 1189616386 /nfs/dbraw/zinc/61/63/86/1189616386.db2.gz KNOGVNMXZXHZER-HNNXBMFYSA-N 1 2 375.328 0.981 20 5 GCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617777 1189647428 /nfs/dbraw/zinc/64/74/28/1189647428.db2.gz NYBFZROHNNCLKA-DOMZBBRYSA-N 1 2 382.442 0.701 20 5 GCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617777 1189647431 /nfs/dbraw/zinc/64/74/31/1189647431.db2.gz NYBFZROHNNCLKA-DOMZBBRYSA-N 1 2 382.442 0.701 20 5 GCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513604670 1193965297 /nfs/dbraw/zinc/96/52/97/1193965297.db2.gz KNIHCLSOYMIROA-NSHDSACASA-N 1 2 396.381 0.236 20 5 GCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513604670 1193965300 /nfs/dbraw/zinc/96/53/00/1193965300.db2.gz KNIHCLSOYMIROA-NSHDSACASA-N 1 2 396.381 0.236 20 5 GCBDLO O=C(NCC[N@H+]1CC=CCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280482529 1194000134 /nfs/dbraw/zinc/00/01/34/1194000134.db2.gz DREXEDMUMJQZRZ-UHFFFAOYSA-N 1 2 382.442 0.930 20 5 GCBDLO O=C(NCC[N@@H+]1CC=CCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280482529 1194000136 /nfs/dbraw/zinc/00/01/36/1194000136.db2.gz DREXEDMUMJQZRZ-UHFFFAOYSA-N 1 2 382.442 0.930 20 5 GCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000501041531 1194038938 /nfs/dbraw/zinc/03/89/38/1194038938.db2.gz QKQDPVILGABLGP-UHFFFAOYSA-N 1 2 387.400 0.192 20 5 GCBDLO CCC[C@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501155149 1194069610 /nfs/dbraw/zinc/06/96/10/1194069610.db2.gz NMHORRZMWDNJJL-ZDUSSCGKSA-N 1 2 389.478 0.933 20 5 GCBDLO CCC[C@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000501155149 1194069613 /nfs/dbraw/zinc/06/96/13/1194069613.db2.gz NMHORRZMWDNJJL-ZDUSSCGKSA-N 1 2 389.478 0.933 20 5 GCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CCc1c[nH+]cn1C ZINC000421975624 1194375037 /nfs/dbraw/zinc/37/50/37/1194375037.db2.gz DYROCXYPFACGMC-UHFFFAOYSA-N 1 2 395.441 0.698 20 5 GCBDLO Cc1cc(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc(C)[nH+]1 ZINC000422585812 1194668936 /nfs/dbraw/zinc/66/89/36/1194668936.db2.gz DQOMJHUBTWYXRZ-UHFFFAOYSA-N 1 2 398.423 0.967 20 5 GCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505579606 1194880110 /nfs/dbraw/zinc/88/01/10/1194880110.db2.gz SVBMACOKRDAIRR-HNNXBMFYSA-N 1 2 397.391 0.888 20 5 GCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425515145 1194996256 /nfs/dbraw/zinc/99/62/56/1194996256.db2.gz WPNCDSAZBUPPPB-LEWSCRJBSA-N 1 2 382.323 0.955 20 5 GCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425515145 1194996257 /nfs/dbraw/zinc/99/62/57/1194996257.db2.gz WPNCDSAZBUPPPB-LEWSCRJBSA-N 1 2 382.323 0.955 20 5 GCBDLO CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000516071049 1195020568 /nfs/dbraw/zinc/02/05/68/1195020568.db2.gz BAPOGRMFZSFYNW-LBPRGKRZSA-N 1 2 379.398 0.544 20 5 GCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]cn1C ZINC000516861039 1195106138 /nfs/dbraw/zinc/10/61/38/1195106138.db2.gz WFNZGDARJBDLOP-UHFFFAOYSA-N 1 2 381.414 0.308 20 5 GCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2c[nH+]cc2C1 ZINC000427508092 1195545873 /nfs/dbraw/zinc/54/58/73/1195545873.db2.gz XLSZLWOPQDNVBK-UHFFFAOYSA-N 1 2 379.398 0.502 20 5 GCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000536336044 1195736911 /nfs/dbraw/zinc/73/69/11/1195736911.db2.gz WFTGFGLYBLWBHA-ZDUSSCGKSA-N 1 2 396.381 0.236 20 5 GCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000536336044 1195736914 /nfs/dbraw/zinc/73/69/14/1195736914.db2.gz WFTGFGLYBLWBHA-ZDUSSCGKSA-N 1 2 396.381 0.236 20 5 GCBDLO Cc1nn(CCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000473983370 1195740698 /nfs/dbraw/zinc/74/06/98/1195740698.db2.gz LXVYAVQCIAZBFZ-INIZCTEOSA-N 1 2 395.460 0.748 20 5 GCBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473994811 1195788040 /nfs/dbraw/zinc/78/80/40/1195788040.db2.gz PMEWUZOJAGBNGZ-QGZVFWFLSA-N 1 2 379.413 0.923 20 5 GCBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000474002819 1195817907 /nfs/dbraw/zinc/81/79/07/1195817907.db2.gz WVPOODWMGNTEBR-QGZVFWFLSA-N 1 2 379.413 0.923 20 5 GCBDLO CC[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427734147 1195872986 /nfs/dbraw/zinc/87/29/86/1195872986.db2.gz CBVCZUHBMUQJNO-CQSZACIVSA-N 1 2 392.412 0.547 20 5 GCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427734147 1195872992 /nfs/dbraw/zinc/87/29/92/1195872992.db2.gz CBVCZUHBMUQJNO-CQSZACIVSA-N 1 2 392.412 0.547 20 5 GCBDLO CC[C@H]1C[N@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427738858 1195873099 /nfs/dbraw/zinc/87/30/99/1195873099.db2.gz BDBHPPUABCJRRI-INIZCTEOSA-N 1 2 378.429 0.942 20 5 GCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000427738858 1195873102 /nfs/dbraw/zinc/87/31/02/1195873102.db2.gz BDBHPPUABCJRRI-INIZCTEOSA-N 1 2 378.429 0.942 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000442068955 1195951846 /nfs/dbraw/zinc/95/18/46/1195951846.db2.gz USSOKNKVCSNSDS-LBPRGKRZSA-N 1 2 378.385 0.629 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000442068955 1195951849 /nfs/dbraw/zinc/95/18/49/1195951849.db2.gz USSOKNKVCSNSDS-LBPRGKRZSA-N 1 2 378.385 0.629 20 5 GCBDLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000522205258 1196060205 /nfs/dbraw/zinc/06/02/05/1196060205.db2.gz OKTQVQXBBYXCDG-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000025556556 1196141277 /nfs/dbraw/zinc/14/12/77/1196141277.db2.gz SOTIKAYCRHXQMC-HNNXBMFYSA-N 1 2 389.456 0.796 20 5 GCBDLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000281801069 1196335860 /nfs/dbraw/zinc/33/58/60/1196335860.db2.gz TTYZCDZZSROJJX-UHFFFAOYSA-N 1 2 380.401 0.163 20 5 GCBDLO CC1(C)C[N@H+](CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000523218331 1196503726 /nfs/dbraw/zinc/50/37/26/1196503726.db2.gz BOZPCTRUTGJUIU-UHFFFAOYSA-N 1 2 392.460 0.932 20 5 GCBDLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000523218331 1196503727 /nfs/dbraw/zinc/50/37/27/1196503727.db2.gz BOZPCTRUTGJUIU-UHFFFAOYSA-N 1 2 392.460 0.932 20 5 GCBDLO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000446849440 1196676519 /nfs/dbraw/zinc/67/65/19/1196676519.db2.gz YMQAGJRNLCUKNM-UHFFFAOYSA-N 1 2 399.433 0.261 20 5 GCBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])n2)c1C ZINC000447702473 1196742550 /nfs/dbraw/zinc/74/25/50/1196742550.db2.gz YXUMPZOTAAFHOO-UHFFFAOYSA-N 1 2 386.372 1.539 20 5 GCBDLO CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448615157 1196820322 /nfs/dbraw/zinc/82/03/22/1196820322.db2.gz UKSABOQTACFTOB-UHFFFAOYSA-N 1 2 379.398 0.498 20 5 GCBDLO CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448793696 1196832256 /nfs/dbraw/zinc/83/22/56/1196832256.db2.gz HTGAYDNGVXMCES-CYBMUJFWSA-N 1 2 393.425 0.934 20 5 GCBDLO CS(=O)(=O)N1CC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450803205 1196954854 /nfs/dbraw/zinc/95/48/54/1196954854.db2.gz ALPRXHQPMUVFTJ-UHFFFAOYSA-N 1 2 379.398 0.402 20 5 GCBDLO CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452543824 1197067852 /nfs/dbraw/zinc/06/78/52/1197067852.db2.gz QOAHEHKBRORTOD-LBPRGKRZSA-N 1 2 381.414 0.838 20 5 GCBDLO CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452543823 1197067898 /nfs/dbraw/zinc/06/78/98/1197067898.db2.gz QOAHEHKBRORTOD-GFCCVEGCSA-N 1 2 381.414 0.838 20 5 GCBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000475690084 1197132409 /nfs/dbraw/zinc/13/24/09/1197132409.db2.gz DIAYZOGLFAIGRA-UHFFFAOYSA-N 1 2 388.380 0.799 20 5 GCBDLO COC(=O)COc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000475690084 1197132412 /nfs/dbraw/zinc/13/24/12/1197132412.db2.gz DIAYZOGLFAIGRA-UHFFFAOYSA-N 1 2 388.380 0.799 20 5 GCBDLO CC(=O)NC[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532974955 1197423967 /nfs/dbraw/zinc/42/39/67/1197423967.db2.gz HMNFTHGSGDOTOV-CQSZACIVSA-N 1 2 378.385 0.730 20 5 GCBDLO CC(=O)NC[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532974955 1197423969 /nfs/dbraw/zinc/42/39/69/1197423969.db2.gz HMNFTHGSGDOTOV-CQSZACIVSA-N 1 2 378.385 0.730 20 5 GCBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC(=O)N1CCCC1 ZINC000533379955 1197448452 /nfs/dbraw/zinc/44/84/52/1197448452.db2.gz HAGUWDPINIZZLW-CYBMUJFWSA-N 1 2 376.417 0.215 20 5 GCBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCC(=O)N1CCCC1 ZINC000533379955 1197448453 /nfs/dbraw/zinc/44/84/53/1197448453.db2.gz HAGUWDPINIZZLW-CYBMUJFWSA-N 1 2 376.417 0.215 20 5 GCBDLO CNc1nc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000455445847 1197462156 /nfs/dbraw/zinc/46/21/56/1197462156.db2.gz ZBUKRZYXOHQLAV-UHFFFAOYSA-N 1 2 375.389 0.813 20 5 GCBDLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265715387 1198963762 /nfs/dbraw/zinc/96/37/62/1198963762.db2.gz WUTPMVTXYASXFF-CQSZACIVSA-N 1 2 388.424 0.665 20 5 GCBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265718147 1198990147 /nfs/dbraw/zinc/99/01/47/1198990147.db2.gz JZHKRPUSTOFGJY-UHFFFAOYSA-N 1 2 387.400 0.512 20 5 GCBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265718147 1198990149 /nfs/dbraw/zinc/99/01/49/1198990149.db2.gz JZHKRPUSTOFGJY-UHFFFAOYSA-N 1 2 387.400 0.512 20 5 GCBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273731331 1199064015 /nfs/dbraw/zinc/06/40/15/1199064015.db2.gz TYXWNKMIGSMREL-UHFFFAOYSA-N 1 2 384.458 0.567 20 5 GCBDLO C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCN(C)CC1 ZINC000265875926 1199834269 /nfs/dbraw/zinc/83/42/69/1199834269.db2.gz KVGPUNVVUDVNPB-HNNXBMFYSA-N 1 2 389.456 0.515 20 5 GCBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000155915098 1199876967 /nfs/dbraw/zinc/87/69/67/1199876967.db2.gz MDOWKKNHVHPSLK-KRWDZBQOSA-N 1 2 383.470 0.823 20 5 GCBDLO CNc1nccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000569637628 1200737852 /nfs/dbraw/zinc/73/78/52/1200737852.db2.gz SPDRPBOGZLZQLC-UHFFFAOYSA-N 1 2 397.399 0.671 20 5 GCBDLO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578517686 1200796555 /nfs/dbraw/zinc/79/65/55/1200796555.db2.gz PQYGQSRFVFQACF-GFCCVEGCSA-N 1 2 381.396 1.525 20 5 GCBDLO Nc1nccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000569938935 1201137701 /nfs/dbraw/zinc/13/77/01/1201137701.db2.gz DPYRGEYXJUVLBB-UHFFFAOYSA-N 1 2 399.411 0.436 20 5 GCBDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000611285344 1201228764 /nfs/dbraw/zinc/22/87/64/1201228764.db2.gz GFWJGHLAFXLPCK-CYBMUJFWSA-N 1 2 376.369 0.834 20 5 GCBDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000611285344 1201228766 /nfs/dbraw/zinc/22/87/66/1201228766.db2.gz GFWJGHLAFXLPCK-CYBMUJFWSA-N 1 2 376.369 0.834 20 5 GCBDLO CN(CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000742657816 1201804241 /nfs/dbraw/zinc/80/42/41/1201804241.db2.gz YJUZRHNNVOLBIE-UHFFFAOYSA-N 1 2 398.485 0.656 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000767413771 1201972259 /nfs/dbraw/zinc/97/22/59/1201972259.db2.gz XDAYWJIARAULEQ-OKILXGFUSA-N 1 2 393.396 0.740 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000767413771 1201972262 /nfs/dbraw/zinc/97/22/62/1201972262.db2.gz XDAYWJIARAULEQ-OKILXGFUSA-N 1 2 393.396 0.740 20 5 GCBDLO Cc1c(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001170130954 1205460552 /nfs/dbraw/zinc/46/05/52/1205460552.db2.gz RMHOZDWKJIYPAN-HNNXBMFYSA-N 1 2 382.384 0.994 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000807284162 1205577825 /nfs/dbraw/zinc/57/78/25/1205577825.db2.gz NZBHXPXLRJFQNW-OAHLLOKOSA-N 1 2 384.352 0.949 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])c(OC)n3)CC2)C1=O ZINC001164642687 719268091 /nfs/dbraw/zinc/26/80/91/719268091.db2.gz YGNPPSDPBHDXMV-UHFFFAOYSA-N 1 2 394.432 0.153 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])c(OC)n3)CC2)C1=O ZINC001164642687 719268094 /nfs/dbraw/zinc/26/80/94/719268094.db2.gz YGNPPSDPBHDXMV-UHFFFAOYSA-N 1 2 394.432 0.153 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(OC)cc3[N+](=O)[O-])CC2)C1=O ZINC001164632721 719273271 /nfs/dbraw/zinc/27/32/71/719273271.db2.gz BFPBDDFQXGTEEG-UHFFFAOYSA-N 1 2 393.444 0.758 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(OC)cc3[N+](=O)[O-])CC2)C1=O ZINC001164632721 719273274 /nfs/dbraw/zinc/27/32/74/719273274.db2.gz BFPBDDFQXGTEEG-UHFFFAOYSA-N 1 2 393.444 0.758 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164705158 719858576 /nfs/dbraw/zinc/85/85/76/719858576.db2.gz TYOXZZDKYQZDCX-SJCJKPOMSA-N 1 2 379.417 0.805 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164718900 720215501 /nfs/dbraw/zinc/21/55/01/720215501.db2.gz OKTOKMXRJRIONE-GOSISDBHSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164718900 720215511 /nfs/dbraw/zinc/21/55/11/720215511.db2.gz OKTOKMXRJRIONE-GOSISDBHSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164722796 720303478 /nfs/dbraw/zinc/30/34/78/720303478.db2.gz LTRGKKJLCXMPCN-QGZVFWFLSA-N 1 2 378.433 0.358 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164722796 720303484 /nfs/dbraw/zinc/30/34/84/720303484.db2.gz LTRGKKJLCXMPCN-QGZVFWFLSA-N 1 2 378.433 0.358 20 5 GCBDLO O=[N+]([O-])c1ccc2nc(NC[C@@H]3C[NH+]4CCN3CC4)cc(-c3nn[nH]n3)c2c1 ZINC000826499418 948414999 /nfs/dbraw/zinc/41/49/99/948414999.db2.gz IAUOEGOYQNIAEC-GFCCVEGCSA-N 1 2 381.400 0.735 20 5 GCBDLO CCn1cc(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])n1 ZINC000611106204 530233378 /nfs/dbraw/zinc/23/33/78/530233378.db2.gz ZCQOENGWLUBRAM-GFCCVEGCSA-N 1 2 375.451 0.446 20 5 GCBDLO CCn1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])n1 ZINC000611106204 530233381 /nfs/dbraw/zinc/23/33/81/530233381.db2.gz ZCQOENGWLUBRAM-GFCCVEGCSA-N 1 2 375.451 0.446 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000614551114 530309945 /nfs/dbraw/zinc/30/99/45/530309945.db2.gz YRVNLKDTRYBEKV-RNCFNFMXSA-N 1 2 377.394 0.740 20 5 GCBDLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615105 530375100 /nfs/dbraw/zinc/37/51/00/530375100.db2.gz QMNFSZSUXQLZLS-LBPRGKRZSA-N 1 2 390.849 0.866 20 5 GCBDLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615105 530375102 /nfs/dbraw/zinc/37/51/02/530375102.db2.gz QMNFSZSUXQLZLS-LBPRGKRZSA-N 1 2 390.849 0.866 20 5 GCBDLO C[C@H]1C[NH+]=C(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)S1 ZINC000267217408 530573228 /nfs/dbraw/zinc/57/32/28/530573228.db2.gz MZHGJUZCHGBLRG-JTQLQIEISA-N 1 2 385.471 0.856 20 5 GCBDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269449324 530744974 /nfs/dbraw/zinc/74/49/74/530744974.db2.gz BWHUABLTTHYMDX-SNVBAGLBSA-N 1 2 394.247 0.966 20 5 GCBDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269449324 530744977 /nfs/dbraw/zinc/74/49/77/530744977.db2.gz BWHUABLTTHYMDX-SNVBAGLBSA-N 1 2 394.247 0.966 20 5 GCBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593650272 530823971 /nfs/dbraw/zinc/82/39/71/530823971.db2.gz XGIPDLPNZVSQJE-LLVKDONJSA-N 1 2 375.834 0.996 20 5 GCBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593650272 530823973 /nfs/dbraw/zinc/82/39/73/530823973.db2.gz XGIPDLPNZVSQJE-LLVKDONJSA-N 1 2 375.834 0.996 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275112967 530899949 /nfs/dbraw/zinc/89/99/49/530899949.db2.gz WUJUVKUAAHQCGC-JTQLQIEISA-N 1 2 376.410 0.267 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275112967 530899954 /nfs/dbraw/zinc/89/99/54/530899954.db2.gz WUJUVKUAAHQCGC-JTQLQIEISA-N 1 2 376.410 0.267 20 5 GCBDLO CCn1cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631913 530901426 /nfs/dbraw/zinc/90/14/26/530901426.db2.gz FYFBTQFNUJVGLP-VXGBXAGGSA-N 1 2 375.451 0.589 20 5 GCBDLO C[C@@](O)(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000443256695 530893986 /nfs/dbraw/zinc/89/39/86/530893986.db2.gz XEZKAIAFERPRSF-CQSZACIVSA-N 1 2 393.849 0.610 20 5 GCBDLO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825443519 607654379 /nfs/dbraw/zinc/65/43/79/607654379.db2.gz CWOHBCNDESZHCS-ZJUUUORDSA-N 1 2 381.418 0.393 20 5 GCBDLO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825443519 607654380 /nfs/dbraw/zinc/65/43/80/607654380.db2.gz CWOHBCNDESZHCS-ZJUUUORDSA-N 1 2 381.418 0.393 20 5 GCBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824892705 607667235 /nfs/dbraw/zinc/66/72/35/607667235.db2.gz MBOALQZTJFKJPI-NXEZZACHSA-N 1 2 393.429 0.678 20 5 GCBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000824892705 607667236 /nfs/dbraw/zinc/66/72/36/607667236.db2.gz MBOALQZTJFKJPI-NXEZZACHSA-N 1 2 393.429 0.678 20 5 GCBDLO CC[NH+]1CCN(C[C@H](C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821268597 606699299 /nfs/dbraw/zinc/69/92/99/606699299.db2.gz YDOSQFNNWNYGKY-GFCCVEGCSA-N 1 2 375.437 0.855 20 5 GCBDLO 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GCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066360112 1187673205 /nfs/dbraw/zinc/67/32/05/1187673205.db2.gz WCIDAXAYWJYGKD-GFCCVEGCSA-N 1 2 396.429 0.458 20 5 GCBDLO Cn1ncc2c1nc[nH+]c2NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000066373031 1187674083 /nfs/dbraw/zinc/67/40/83/1187674083.db2.gz BXHAQLNQMBVQHB-UHFFFAOYSA-N 1 2 377.386 0.662 20 5 GCBDLO CS(=O)(=O)c1ccc(NCCNC(=O)CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000511457251 1187703025 /nfs/dbraw/zinc/70/30/25/1187703025.db2.gz MVJHOGMFEOIAHU-UHFFFAOYSA-N 1 2 381.414 0.813 20 5 GCBDLO Cn1c2ccccc2c(N2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1=O ZINC000892653909 1187890307 /nfs/dbraw/zinc/89/03/07/1187890307.db2.gz FCWFULBHUYDODD-AREMUKBSSA-N 1 2 378.454 0.947 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000378592129 1189544964 /nfs/dbraw/zinc/54/49/64/1189544964.db2.gz CEOHXUHWBVBPNN-KGLIPLIRSA-N 1 2 385.442 0.823 20 5 GCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000416577871 1189555530 /nfs/dbraw/zinc/55/55/30/1189555530.db2.gz FRDNCCYPBZCEHH-ZDUSSCGKSA-N 1 2 385.442 0.883 20 5 GCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000416577871 1189555533 /nfs/dbraw/zinc/55/55/33/1189555533.db2.gz FRDNCCYPBZCEHH-ZDUSSCGKSA-N 1 2 385.442 0.883 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000416591481 1189558079 /nfs/dbraw/zinc/55/80/79/1189558079.db2.gz UDIKJTMFUYGGER-LLVKDONJSA-N 1 2 387.414 0.329 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+](C)C1 ZINC000416591481 1189558081 /nfs/dbraw/zinc/55/80/81/1189558081.db2.gz UDIKJTMFUYGGER-LLVKDONJSA-N 1 2 387.414 0.329 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000047161743 1193737722 /nfs/dbraw/zinc/73/77/22/1193737722.db2.gz UXQIUCAXFHRNOR-GFCCVEGCSA-N 1 2 378.385 0.157 20 5 GCBDLO CC(C)(CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000047341041 1193828882 /nfs/dbraw/zinc/82/88/82/1193828882.db2.gz DXZXCCYNCSQDEQ-UHFFFAOYSA-N 1 2 378.385 0.730 20 5 GCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000419343259 1193837309 /nfs/dbraw/zinc/83/73/09/1193837309.db2.gz FHSBNGSPQHPHBW-CYBMUJFWSA-N 1 2 381.385 0.736 20 5 GCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000419343259 1193837311 /nfs/dbraw/zinc/83/73/11/1193837311.db2.gz FHSBNGSPQHPHBW-CYBMUJFWSA-N 1 2 381.385 0.736 20 5 GCBDLO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000513439665 1193951709 /nfs/dbraw/zinc/95/17/09/1193951709.db2.gz QCTZGKXIWSATFZ-UHFFFAOYSA-N 1 2 376.373 0.427 20 5 GCBDLO C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000509932349 1193960013 /nfs/dbraw/zinc/96/00/13/1193960013.db2.gz WWEPLXLMDJFCDR-CYBMUJFWSA-N 1 2 391.428 0.072 20 5 GCBDLO COC(=O)c1cn(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000501289281 1194107918 /nfs/dbraw/zinc/10/79/18/1194107918.db2.gz KCQSTIGUJYFKQK-UHFFFAOYSA-N 1 2 385.340 0.589 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366559588 1194219433 /nfs/dbraw/zinc/21/94/33/1194219433.db2.gz UNWBHVSGQREDMC-AWEZNQCLSA-N 1 2 392.412 0.266 20 5 GCBDLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000367116031 1194369490 /nfs/dbraw/zinc/36/94/90/1194369490.db2.gz YBZSQJUHIGRRAI-GFCCVEGCSA-N 1 2 391.409 0.646 20 5 GCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000421997808 1194376840 /nfs/dbraw/zinc/37/68/40/1194376840.db2.gz XZAYXKSNLMBWDX-UHFFFAOYSA-N 1 2 381.414 0.687 20 5 GCBDLO CN(C(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000434711900 1194861463 /nfs/dbraw/zinc/86/14/63/1194861463.db2.gz SLPKPLBGFOWZKA-SFHVURJKSA-N 1 2 390.440 0.909 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505523542 1194870784 /nfs/dbraw/zinc/87/07/84/1194870784.db2.gz JQYAQGOEIOCCHG-KRWDZBQOSA-N 1 2 398.423 0.962 20 5 GCBDLO COc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975710 1194880823 /nfs/dbraw/zinc/88/08/23/1194880823.db2.gz FVDUXUFPNPBSRV-KGLIPLIRSA-N 1 2 396.444 0.555 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983672 1194881519 /nfs/dbraw/zinc/88/15/19/1194881519.db2.gz WCZMMRVWVRYBCH-SJORKVTESA-N 1 2 378.429 0.325 20 5 GCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505692318 1194929949 /nfs/dbraw/zinc/92/99/49/1194929949.db2.gz SJKGBCYSCNGQGR-KRWDZBQOSA-N 1 2 398.423 0.962 20 5 GCBDLO CN1C(=O)NCC12CC[NH+](CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC000425546135 1195006006 /nfs/dbraw/zinc/00/60/06/1195006006.db2.gz SMEFRFUEAMPEDW-UHFFFAOYSA-N 1 2 391.384 0.752 20 5 GCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000517836927 1195223505 /nfs/dbraw/zinc/22/35/05/1195223505.db2.gz LRUGABQVFXVLBA-CYBMUJFWSA-N 1 2 379.417 0.231 20 5 GCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000517836927 1195223508 /nfs/dbraw/zinc/22/35/08/1195223508.db2.gz LRUGABQVFXVLBA-CYBMUJFWSA-N 1 2 379.417 0.231 20 5 GCBDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000440273029 1195399564 /nfs/dbraw/zinc/39/95/64/1195399564.db2.gz DCKULHGIOVCCTF-NSHDSACASA-N 1 2 378.385 0.857 20 5 GCBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000440273029 1195399566 /nfs/dbraw/zinc/39/95/66/1195399566.db2.gz DCKULHGIOVCCTF-NSHDSACASA-N 1 2 378.385 0.857 20 5 GCBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067377063 1195739757 /nfs/dbraw/zinc/73/97/57/1195739757.db2.gz ULBDDNVYBMSCFK-XJKSGUPXSA-N 1 2 396.469 0.961 20 5 GCBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067377063 1195739760 /nfs/dbraw/zinc/73/97/60/1195739760.db2.gz ULBDDNVYBMSCFK-XJKSGUPXSA-N 1 2 396.469 0.961 20 5 GCBDLO C[C@H]([C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCOCC1 ZINC000520608595 1195798690 /nfs/dbraw/zinc/79/86/90/1195798690.db2.gz MXLNPKAAOBBSDO-LSDHHAIUSA-N 1 2 392.460 0.931 20 5 GCBDLO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000520608592 1195798767 /nfs/dbraw/zinc/79/87/67/1195798767.db2.gz MXLNPKAAOBBSDO-CABCVRRESA-N 1 2 392.460 0.931 20 5 GCBDLO CC[C@H]1C[N@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000428060605 1195906517 /nfs/dbraw/zinc/90/65/17/1195906517.db2.gz FDRJHQSWXYAJSX-LBPRGKRZSA-N 1 2 390.396 0.418 20 5 GCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000428060605 1195906518 /nfs/dbraw/zinc/90/65/18/1195906518.db2.gz FDRJHQSWXYAJSX-LBPRGKRZSA-N 1 2 390.396 0.418 20 5 GCBDLO 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CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450208448 1196920543 /nfs/dbraw/zinc/92/05/43/1196920543.db2.gz NCANAXMEEBHXGK-LBPRGKRZSA-N 1 2 393.425 0.792 20 5 GCBDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000452017565 1197031636 /nfs/dbraw/zinc/03/16/36/1197031636.db2.gz AYLYSNREBPJVBW-AWEZNQCLSA-N 1 2 396.469 0.878 20 5 GCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531483816 1197079303 /nfs/dbraw/zinc/07/93/03/1197079303.db2.gz GJEVZCNPIYJPSR-CQSZACIVSA-N 1 2 378.433 0.542 20 5 GCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531483816 1197079306 /nfs/dbraw/zinc/07/93/06/1197079306.db2.gz GJEVZCNPIYJPSR-CQSZACIVSA-N 1 2 378.433 0.542 20 5 GCBDLO COC(=O)c1ccc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000026271033 1197336209 /nfs/dbraw/zinc/33/62/09/1197336209.db2.gz GBTRAXLQWDTXAQ-UHFFFAOYSA-N 1 2 395.412 0.987 20 5 GCBDLO 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NS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533282071 1197443304 /nfs/dbraw/zinc/44/33/04/1197443304.db2.gz MHFJEEHDLDVQKT-WFASDCNBSA-N 1 2 397.457 0.205 20 5 GCBDLO NS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533282071 1197443307 /nfs/dbraw/zinc/44/33/07/1197443307.db2.gz MHFJEEHDLDVQKT-WFASDCNBSA-N 1 2 397.457 0.205 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000026338220 1197478508 /nfs/dbraw/zinc/47/85/08/1197478508.db2.gz NSXKBLBELXAKPS-UHFFFAOYSA-N 1 2 386.430 0.509 20 5 GCBDLO NS(=O)(=O)c1ccc(NCCC(=O)NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000273424321 1198992180 /nfs/dbraw/zinc/99/21/80/1198992180.db2.gz WEVUNNOOZMBDJC-UHFFFAOYSA-N 1 2 382.402 0.057 20 5 GCBDLO Cc1nc(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)cc[nH+]1 ZINC000273469623 1199011028 /nfs/dbraw/zinc/01/10/28/1199011028.db2.gz IECQQMWMYFXFLB-UHFFFAOYSA-N 1 2 378.414 0.667 20 5 GCBDLO 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C[C@@H]1C[N@H+](CC(=O)Nc2cc(N3C[C@H](C)[C@H](O)C3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000611259119 1201227192 /nfs/dbraw/zinc/22/71/92/1201227192.db2.gz DAWURHRYZPDPQM-CZAMWMTLSA-N 1 2 378.429 0.663 20 5 GCBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000742255070 1201794088 /nfs/dbraw/zinc/79/40/88/1201794088.db2.gz MIKPJTGNXNPLOX-UHFFFAOYSA-N 1 2 377.401 0.709 20 5 GCBDLO COc1ccc(NC(=O)CN2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000746476982 1201926711 /nfs/dbraw/zinc/92/67/11/1201926711.db2.gz YOVZOAWMFZPQAU-SANMLTNESA-N 1 2 384.458 0.538 20 5 GCBDLO COC(=O)C(C(=O)OC)c1cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC001169135065 1201933213 /nfs/dbraw/zinc/93/32/13/1201933213.db2.gz IMIAURRWQOGQOL-PWSUYJOCSA-N 1 2 395.368 0.340 20 5 GCBDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000771147306 1202126100 /nfs/dbraw/zinc/12/61/00/1202126100.db2.gz QAJDFIQUTWSGEK-SANMLTNESA-N 1 2 380.470 0.988 20 5 GCBDLO 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COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000807284161 1205577914 /nfs/dbraw/zinc/57/79/14/1205577914.db2.gz NZBHXPXLRJFQNW-HNNXBMFYSA-N 1 2 384.352 0.949 20 5 GCBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(OC)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164633827 719272573 /nfs/dbraw/zinc/27/25/73/719272573.db2.gz IKYLAYQRBAZJBE-UHFFFAOYSA-N 1 2 393.444 0.758 20 5 GCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(OC)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164633827 719272574 /nfs/dbraw/zinc/27/25/74/719272574.db2.gz IKYLAYQRBAZJBE-UHFFFAOYSA-N 1 2 393.444 0.758 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164720001 720213818 /nfs/dbraw/zinc/21/38/18/720213818.db2.gz VCUMYNTVBHDGMZ-INIZCTEOSA-N 1 2 398.851 0.703 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1 ZINC001164720001 720213821 /nfs/dbraw/zinc/21/38/21/720213821.db2.gz VCUMYNTVBHDGMZ-INIZCTEOSA-N 1 2 398.851 0.703 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164720335 720228079 /nfs/dbraw/zinc/22/80/79/720228079.db2.gz YPZOILWSHNVGSG-SFHVURJKSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C)c3[N+](=O)[O-])C2)C1 ZINC001164720335 720228092 /nfs/dbraw/zinc/22/80/92/720228092.db2.gz YPZOILWSHNVGSG-SFHVURJKSA-N 1 2 377.445 0.963 20 5 GCBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533381387 530125941 /nfs/dbraw/zinc/12/59/41/530125941.db2.gz RNVZMQHHFWBZAP-UKRRQHHQSA-N 1 2 389.861 0.836 20 5 GCBDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000108873905 530430402 /nfs/dbraw/zinc/43/04/02/530430402.db2.gz MJHCWJAGXMVUFJ-NSHDSACASA-N 1 2 394.247 0.966 20 5 GCBDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000108873905 530430403 /nfs/dbraw/zinc/43/04/03/530430403.db2.gz MJHCWJAGXMVUFJ-NSHDSACASA-N 1 2 394.247 0.966 20 5 GCBDLO C[C@H]1C[NH+]=C(N2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2)S1 ZINC000269105796 530696678 /nfs/dbraw/zinc/69/66/78/530696678.db2.gz ANFWEHKMXDRGIU-JTQLQIEISA-N 1 2 385.471 0.856 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416579911 530847371 /nfs/dbraw/zinc/84/73/71/530847371.db2.gz IBQYJBSJXORQQO-SNVBAGLBSA-N 1 2 391.833 0.974 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416579911 530847374 /nfs/dbraw/zinc/84/73/74/530847374.db2.gz IBQYJBSJXORQQO-SNVBAGLBSA-N 1 2 391.833 0.974 20 5 GCBDLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000274985874 530905748 /nfs/dbraw/zinc/90/57/48/530905748.db2.gz CGNWZMDVWAJZDT-LBPRGKRZSA-N 1 2 375.472 0.625 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459703931 530883847 /nfs/dbraw/zinc/88/38/47/530883847.db2.gz LSIXFNBEVGPNTE-JOYOIKCWSA-N 1 2 378.166 0.984 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459703931 530883850 /nfs/dbraw/zinc/88/38/50/530883850.db2.gz LSIXFNBEVGPNTE-JOYOIKCWSA-N 1 2 378.166 0.984 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC000459703929 530883903 /nfs/dbraw/zinc/88/39/03/530883903.db2.gz LSIXFNBEVGPNTE-BXKDBHETSA-N 1 2 378.166 0.984 20 5 GCBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC000459703929 530883904 /nfs/dbraw/zinc/88/39/04/530883904.db2.gz LSIXFNBEVGPNTE-BXKDBHETSA-N 1 2 378.166 0.984 20 5 GCBDLO C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000443241711 530893337 /nfs/dbraw/zinc/89/33/37/530893337.db2.gz UJCYDFKGTJORCR-CQSZACIVSA-N 1 2 377.394 0.095 20 5 GCBDLO Cc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596073543 530929177 /nfs/dbraw/zinc/92/91/77/530929177.db2.gz MTMMWVNMPGJLLK-UHFFFAOYSA-N 1 2 389.503 0.579 20 5 GCBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000491763139 530930562 /nfs/dbraw/zinc/93/05/62/530930562.db2.gz RJKRNYSUJVPJDT-DZGCQCFKSA-N 1 2 389.861 0.836 20 5 GCBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000491763141 530930631 /nfs/dbraw/zinc/93/06/31/530930631.db2.gz RJKRNYSUJVPJDT-UKRRQHHQSA-N 1 2 389.861 0.836 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000444216271 530992136 /nfs/dbraw/zinc/99/21/36/530992136.db2.gz CLPCSCJFXOXOHP-NSHDSACASA-N 1 2 375.451 0.277 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000444216271 530992139 /nfs/dbraw/zinc/99/21/39/530992139.db2.gz CLPCSCJFXOXOHP-NSHDSACASA-N 1 2 375.451 0.277 20 5 GCBDLO C[C@@H]1C[NH+]=C(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)S1 ZINC000272334278 530990276 /nfs/dbraw/zinc/99/02/76/530990276.db2.gz ANFPZYDTCACYCD-SNVBAGLBSA-N 1 2 385.471 0.856 20 5 GCBDLO CN1CC[NH+](C[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)CC1 ZINC000736864029 598337279 /nfs/dbraw/zinc/33/72/79/598337279.db2.gz OHOJWYICFRSHRN-CQSZACIVSA-N 1 2 388.432 0.228 20 5 GCBDLO Cn1ccnc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737615734 598502689 /nfs/dbraw/zinc/50/26/89/598502689.db2.gz LADUVYMWQDGIMH-UHFFFAOYSA-N 1 2 384.404 0.616 20 5 GCBDLO Cn1ccnc1C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737615734 598502690 /nfs/dbraw/zinc/50/26/90/598502690.db2.gz LADUVYMWQDGIMH-UHFFFAOYSA-N 1 2 384.404 0.616 20 5 GCBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737162025 598592209 /nfs/dbraw/zinc/59/22/09/598592209.db2.gz HKANGIJMOKBRGX-UHFFFAOYSA-N 1 2 395.445 0.696 20 5 GCBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824892708 607667860 /nfs/dbraw/zinc/66/78/60/607667860.db2.gz MBOALQZTJFKJPI-ZJUUUORDSA-N 1 2 393.429 0.678 20 5 GCBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000824892708 607667861 /nfs/dbraw/zinc/66/78/61/607667861.db2.gz MBOALQZTJFKJPI-ZJUUUORDSA-N 1 2 393.429 0.678 20 5 GCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000823619974 606702214 /nfs/dbraw/zinc/70/22/14/606702214.db2.gz DNZCUEQPLOZWLO-OAHLLOKOSA-N 1 2 392.445 0.790 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000823647519 606733745 /nfs/dbraw/zinc/73/37/45/606733745.db2.gz LJIHORYRYIABPX-LLVKDONJSA-N 1 2 393.429 0.634 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000823647519 606733746 /nfs/dbraw/zinc/73/37/46/606733746.db2.gz LJIHORYRYIABPX-LLVKDONJSA-N 1 2 393.429 0.634 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826500403 607852697 /nfs/dbraw/zinc/85/26/97/607852697.db2.gz XNBCGDRAVMJFBX-SECBINFHSA-N 1 2 379.402 0.290 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826500403 607852698 /nfs/dbraw/zinc/85/26/98/607852698.db2.gz XNBCGDRAVMJFBX-SECBINFHSA-N 1 2 379.402 0.290 20 5 GCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012240 641815385 /nfs/dbraw/zinc/81/53/85/641815385.db2.gz IWZQCMJDEPJGDL-VIFPVBQESA-N 1 2 380.829 0.911 20 5 GCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012240 641815390 /nfs/dbraw/zinc/81/53/90/641815390.db2.gz IWZQCMJDEPJGDL-VIFPVBQESA-N 1 2 380.829 0.911 20 5 GCBDLO NC(=O)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000066940137 1192277077 /nfs/dbraw/zinc/27/70/77/1192277077.db2.gz LSTGHMPMQGOQMU-HNNXBMFYSA-N 1 2 396.400 0.828 20 5 GCBDLO CCn1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000570738650 1192414824 /nfs/dbraw/zinc/41/48/24/1192414824.db2.gz CFCXMGCZODARHP-ZDUSSCGKSA-N 1 2 387.462 0.687 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000279043288 1192444017 /nfs/dbraw/zinc/44/40/17/1192444017.db2.gz BVCAUBSFMQAZAZ-KGLIPLIRSA-N 1 2 378.429 0.892 20 5 GCBDLO COc1ccc(C(=O)NCC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279249391 1192494087 /nfs/dbraw/zinc/49/40/87/1192494087.db2.gz GXIGWILRBFMIDI-CYBMUJFWSA-N 1 2 394.428 0.512 20 5 GCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000279305349 1192512434 /nfs/dbraw/zinc/51/24/34/1192512434.db2.gz MUMCUXXPFQGXTR-GFCCVEGCSA-N 1 2 390.396 0.370 20 5 GCBDLO CN(C)c1cc(F)c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279466959 1192543948 /nfs/dbraw/zinc/54/39/48/1192543948.db2.gz PMQGCWACEXVYNQ-GFCCVEGCSA-N 1 2 384.408 0.565 20 5 GCBDLO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000279740314 1192596805 /nfs/dbraw/zinc/59/68/05/1192596805.db2.gz OQHWTDRZYNNUHJ-LBPRGKRZSA-N 1 2 380.401 0.915 20 5 GCBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000279740314 1192596811 /nfs/dbraw/zinc/59/68/11/1192596811.db2.gz OQHWTDRZYNNUHJ-LBPRGKRZSA-N 1 2 380.401 0.915 20 5 GCBDLO Nc1c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000457986253 1184280177 /nfs/dbraw/zinc/28/01/77/1184280177.db2.gz VGWQOBCSBBVFCC-UHFFFAOYSA-N 1 2 382.392 0.927 20 5 GCBDLO CN1CCN(c2cc(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)[nH+]cn2)CC1=O ZINC000274778633 1184298849 /nfs/dbraw/zinc/29/88/49/1184298849.db2.gz DDVKBOMOZHBYEY-UHFFFAOYSA-N 1 2 397.439 0.990 20 5 GCBDLO CN1CCN(c2cc(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)nc[nH+]2)CC1=O ZINC000274778633 1184298855 /nfs/dbraw/zinc/29/88/55/1184298855.db2.gz DDVKBOMOZHBYEY-UHFFFAOYSA-N 1 2 397.439 0.990 20 5 GCBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000274978473 1184446953 /nfs/dbraw/zinc/44/69/53/1184446953.db2.gz LTRHCAILMFPWEC-UONOGXRCSA-N 1 2 385.421 0.378 20 5 GCBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000274978473 1184446957 /nfs/dbraw/zinc/44/69/57/1184446957.db2.gz LTRHCAILMFPWEC-UONOGXRCSA-N 1 2 385.421 0.378 20 5 GCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000049984638 1185091675 /nfs/dbraw/zinc/09/16/75/1185091675.db2.gz NGPFZKFVKYVRHS-ZDUSSCGKSA-N 1 2 378.429 0.940 20 5 GCBDLO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000262130434 1185381380 /nfs/dbraw/zinc/38/13/80/1185381380.db2.gz YCJDAKFRRVBDEE-ZDUSSCGKSA-N 1 2 381.414 0.672 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276001329 1185421030 /nfs/dbraw/zinc/42/10/30/1185421030.db2.gz ZADHEZZYVUMLMT-ZDUSSCGKSA-N 1 2 392.412 0.938 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276001329 1185421036 /nfs/dbraw/zinc/42/10/36/1185421036.db2.gz ZADHEZZYVUMLMT-ZDUSSCGKSA-N 1 2 392.412 0.938 20 5 GCBDLO COCCOCCOCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000276279420 1185713760 /nfs/dbraw/zinc/71/37/60/1185713760.db2.gz RLSZHKWLVHFLJF-UHFFFAOYSA-N 1 2 399.400 0.873 20 5 GCBDLO COCCOCCOCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000276279420 1185713764 /nfs/dbraw/zinc/71/37/64/1185713764.db2.gz RLSZHKWLVHFLJF-UHFFFAOYSA-N 1 2 399.400 0.873 20 5 GCBDLO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276328955 1185739487 /nfs/dbraw/zinc/73/94/87/1185739487.db2.gz QXPDLDUJPLCTET-UHFFFAOYSA-N 1 2 398.485 0.989 20 5 GCBDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157385374 1185819644 /nfs/dbraw/zinc/81/96/44/1185819644.db2.gz INCIISJDYVYESC-UHFFFAOYSA-N 1 2 391.472 0.947 20 5 GCBDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157385374 1185819650 /nfs/dbraw/zinc/81/96/50/1185819650.db2.gz INCIISJDYVYESC-UHFFFAOYSA-N 1 2 391.472 0.947 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000276565876 1185903873 /nfs/dbraw/zinc/90/38/73/1185903873.db2.gz ACWKVMNIZTXCGO-UHFFFAOYSA-N 1 2 384.458 0.700 20 5 GCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610733303 1186156655 /nfs/dbraw/zinc/15/66/55/1186156655.db2.gz LZPVLDPKGDKCDZ-KGLIPLIRSA-N 1 2 380.449 0.760 20 5 GCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000478371997 1186514447 /nfs/dbraw/zinc/51/44/47/1186514447.db2.gz QXQUZRLLLXBWIN-ZDUSSCGKSA-N 1 2 390.396 0.614 20 5 GCBDLO CCOc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000478556397 1186520553 /nfs/dbraw/zinc/52/05/53/1186520553.db2.gz PRLTZRKAMBVDKT-SFHVURJKSA-N 1 2 397.428 0.815 20 5 GCBDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713938 1186658804 /nfs/dbraw/zinc/65/88/04/1186658804.db2.gz MPIRRYXEGSPUON-UHFFFAOYSA-N 1 2 375.385 0.850 20 5 GCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277935830 1186711472 /nfs/dbraw/zinc/71/14/72/1186711472.db2.gz REUHTIZGJSVXPT-UHFFFAOYSA-N 1 2 379.417 0.712 20 5 GCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277935830 1186711475 /nfs/dbraw/zinc/71/14/75/1186711475.db2.gz REUHTIZGJSVXPT-UHFFFAOYSA-N 1 2 379.417 0.712 20 5 GCBDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844711 1187008070 /nfs/dbraw/zinc/00/80/70/1187008070.db2.gz WNAFYKVBKGHISG-HUUCEWRRSA-N 1 2 389.456 0.829 20 5 GCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000065791472 1187311799 /nfs/dbraw/zinc/31/17/99/1187311799.db2.gz FVJGTKWIEMSKSO-UHFFFAOYSA-N 1 2 384.458 0.646 20 5 GCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376194616 1187664541 /nfs/dbraw/zinc/66/45/41/1187664541.db2.gz HPNIHSIGTPZCJC-YPMHNXCESA-N 1 2 398.441 0.177 20 5 GCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376194613 1187664924 /nfs/dbraw/zinc/66/49/24/1187664924.db2.gz HPNIHSIGTPZCJC-AAEUAGOBSA-N 1 2 398.441 0.177 20 5 GCBDLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000377750532 1188129894 /nfs/dbraw/zinc/12/98/94/1188129894.db2.gz YPESQNSNRFMYNO-OAHLLOKOSA-N 1 2 376.413 0.566 20 5 GCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000412370757 1189493889 /nfs/dbraw/zinc/49/38/89/1189493889.db2.gz PHYFHFYCXFAODI-NSHDSACASA-N 1 2 379.369 0.938 20 5 GCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000412370757 1189493890 /nfs/dbraw/zinc/49/38/90/1189493890.db2.gz PHYFHFYCXFAODI-NSHDSACASA-N 1 2 379.369 0.938 20 5 GCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378592133 1189544980 /nfs/dbraw/zinc/54/49/80/1189544980.db2.gz CEOHXUHWBVBPNN-ZIAGYGMSSA-N 1 2 385.442 0.823 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+](C)C1 ZINC000416580139 1189555362 /nfs/dbraw/zinc/55/53/62/1189555362.db2.gz IHMRJURSMXVOGP-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+](C)C1 ZINC000416580139 1189555364 /nfs/dbraw/zinc/55/53/64/1189555364.db2.gz IHMRJURSMXVOGP-CYBMUJFWSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416586251 1189556268 /nfs/dbraw/zinc/55/62/68/1189556268.db2.gz OTFHCYDDPSFVDZ-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416586251 1189556269 /nfs/dbraw/zinc/55/62/69/1189556269.db2.gz OTFHCYDDPSFVDZ-ZDUSSCGKSA-N 1 2 385.442 0.937 20 5 GCBDLO COCC(COC)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000412439031 1189604231 /nfs/dbraw/zinc/60/42/31/1189604231.db2.gz VQZFZIKLLYBNKM-UHFFFAOYSA-N 1 2 397.428 0.788 20 5 GCBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617781 1189647656 /nfs/dbraw/zinc/64/76/56/1189647656.db2.gz NYBFZROHNNCLKA-SWLSCSKDSA-N 1 2 382.442 0.701 20 5 GCBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000511617781 1189647658 /nfs/dbraw/zinc/64/76/58/1189647658.db2.gz NYBFZROHNNCLKA-SWLSCSKDSA-N 1 2 382.442 0.701 20 5 GCBDLO C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCN(C)CC1 ZINC000265875928 1193899409 /nfs/dbraw/zinc/89/94/09/1193899409.db2.gz KVGPUNVVUDVNPB-OAHLLOKOSA-N 1 2 389.456 0.515 20 5 GCBDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2C1 ZINC000433973651 1193965041 /nfs/dbraw/zinc/96/50/41/1193965041.db2.gz HLRAAKBXNBRELN-UHFFFAOYSA-N 1 2 385.380 0.239 20 5 GCBDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2C1 ZINC000433973651 1193965042 /nfs/dbraw/zinc/96/50/42/1193965042.db2.gz HLRAAKBXNBRELN-UHFFFAOYSA-N 1 2 385.380 0.239 20 5 GCBDLO COCC(COC)[NH+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000413480542 1194267667 /nfs/dbraw/zinc/26/76/67/1194267667.db2.gz RNLRHRQYSISHMZ-UHFFFAOYSA-N 1 2 382.417 0.868 20 5 GCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000273462224 1194565631 /nfs/dbraw/zinc/56/56/31/1194565631.db2.gz BPHKWSABMPBFIJ-CYBMUJFWSA-N 1 2 385.442 0.994 20 5 GCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000273462224 1194565633 /nfs/dbraw/zinc/56/56/33/1194565633.db2.gz BPHKWSABMPBFIJ-CYBMUJFWSA-N 1 2 385.442 0.994 20 5 GCBDLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000518511521 1195299044 /nfs/dbraw/zinc/29/90/44/1195299044.db2.gz KTEYBKAPZACJJN-INMHGKMJSA-N 1 2 379.461 0.582 20 5 GCBDLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000518511522 1195299192 /nfs/dbraw/zinc/29/91/92/1195299192.db2.gz KTEYBKAPZACJJN-UXLLHSPISA-N 1 2 379.461 0.582 20 5 GCBDLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000439331791 1195309052 /nfs/dbraw/zinc/30/90/52/1195309052.db2.gz YOGZPIXIJAATPU-LBPRGKRZSA-N 1 2 391.432 0.807 20 5 GCBDLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000439331791 1195309054 /nfs/dbraw/zinc/30/90/54/1195309054.db2.gz YOGZPIXIJAATPU-LBPRGKRZSA-N 1 2 391.432 0.807 20 5 GCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536326994 1195731317 /nfs/dbraw/zinc/73/13/17/1195731317.db2.gz AXIHPXAWFGZYRX-GJZGRUSLSA-N 1 2 392.437 0.904 20 5 GCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536326994 1195731319 /nfs/dbraw/zinc/73/13/19/1195731319.db2.gz AXIHPXAWFGZYRX-GJZGRUSLSA-N 1 2 392.437 0.904 20 5 GCBDLO CC[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000428068705 1195909501 /nfs/dbraw/zinc/90/95/01/1195909501.db2.gz CRSFXBMGZVLYTD-CQSZACIVSA-N 1 2 394.428 0.560 20 5 GCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000428068705 1195909503 /nfs/dbraw/zinc/90/95/03/1195909503.db2.gz CRSFXBMGZVLYTD-CQSZACIVSA-N 1 2 394.428 0.560 20 5 GCBDLO 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CC(C)(C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102487187 1197222976 /nfs/dbraw/zinc/22/29/76/1197222976.db2.gz VUSWADXRUHFHLY-UHFFFAOYSA-N 1 2 392.460 0.683 20 5 GCBDLO CC(C)(C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102487187 1197222979 /nfs/dbraw/zinc/22/29/79/1197222979.db2.gz VUSWADXRUHFHLY-UHFFFAOYSA-N 1 2 392.460 0.683 20 5 GCBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428595688 1197550187 /nfs/dbraw/zinc/55/01/87/1197550187.db2.gz OGVWQWXBLQVOEJ-GFCCVEGCSA-N 1 2 386.412 0.755 20 5 GCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273384170 1198967400 /nfs/dbraw/zinc/96/74/00/1198967400.db2.gz ZHPQYUSBRWNAMY-LBPRGKRZSA-N 1 2 381.414 0.953 20 5 GCBDLO O=C(NCCN1CCCS1(=O)=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116192712 1199585824 /nfs/dbraw/zinc/58/58/24/1199585824.db2.gz AYKHEWHFEALAQT-UHFFFAOYSA-N 1 2 379.398 0.546 20 5 GCBDLO COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000766032737 1199947931 /nfs/dbraw/zinc/94/79/31/1199947931.db2.gz WBNPVPJFOZOYQQ-UHFFFAOYSA-N 1 2 388.398 0.812 20 5 GCBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(N3C[C@H](O)[C@@H](C)C3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000611259118 1201226953 /nfs/dbraw/zinc/22/69/53/1201226953.db2.gz DAWURHRYZPDPQM-AWBCAMRRSA-N 1 2 378.429 0.663 20 5 GCBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(N3C[C@H](O)[C@@H](C)C3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000611259118 1201226959 /nfs/dbraw/zinc/22/69/59/1201226959.db2.gz DAWURHRYZPDPQM-AWBCAMRRSA-N 1 2 378.429 0.663 20 5 GCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000731650619 1201492713 /nfs/dbraw/zinc/49/27/13/1201492713.db2.gz IYAQAROKPQZSQA-UHFFFAOYSA-N 1 2 399.425 0.562 20 5 GCBDLO C[S@](=O)CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000741141328 1201759225 /nfs/dbraw/zinc/75/92/25/1201759225.db2.gz WZVNYSKZFJXHID-MHZLTWQESA-N 1 2 391.453 0.917 20 5 GCBDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000746469182 1201925167 /nfs/dbraw/zinc/92/51/67/1201925167.db2.gz QZXDHAZVVNYMDD-HHHXNRCGSA-N 1 2 398.441 0.258 20 5 GCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000766962137 1201962281 /nfs/dbraw/zinc/96/22/81/1201962281.db2.gz REMSIQCVWKXXHU-UHFFFAOYSA-N 1 2 393.425 0.891 20 5 GCBDLO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000770621866 1202106034 /nfs/dbraw/zinc/10/60/34/1202106034.db2.gz LTJGTQXUTSDAOG-GFCCVEGCSA-N 1 2 395.416 0.976 20 5 GCBDLO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000770621866 1202106035 /nfs/dbraw/zinc/10/60/35/1202106035.db2.gz LTJGTQXUTSDAOG-GFCCVEGCSA-N 1 2 395.416 0.976 20 5 GCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771519409 1202146057 /nfs/dbraw/zinc/14/60/57/1202146057.db2.gz CYWDUADEDWLMSZ-LLVKDONJSA-N 1 2 381.414 0.365 20 5 GCBDLO 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C[N@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000811816894 1205658474 /nfs/dbraw/zinc/65/84/74/1205658474.db2.gz JAYJMIAPAVUPIH-NSHDSACASA-N 1 2 394.432 0.734 20 5 GCBDLO C[N@@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000811816892 1205658626 /nfs/dbraw/zinc/65/86/26/1205658626.db2.gz JAYJMIAPAVUPIH-LLVKDONJSA-N 1 2 394.432 0.734 20 5 GCBDLO C[N@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000811816892 1205658628 /nfs/dbraw/zinc/65/86/28/1205658628.db2.gz JAYJMIAPAVUPIH-LLVKDONJSA-N 1 2 394.432 0.734 20 5 GCBDLO CC(C)(CNC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)[NH+]1CCOCC1 ZINC000105727708 1205664404 /nfs/dbraw/zinc/66/44/04/1205664404.db2.gz BGONYCXUQXDNNR-UHFFFAOYSA-N 1 2 389.412 0.532 20 5 GCBDLO Cn1ncnc1C1(O)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001175853126 1205741649 /nfs/dbraw/zinc/74/16/49/1205741649.db2.gz ATIVNHRXJXMOBY-UHFFFAOYSA-N 1 2 386.412 0.596 20 5 GCBDLO COC(=O)[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001176903093 1205758609 /nfs/dbraw/zinc/75/86/09/1205758609.db2.gz VAEGYTQMFIVYHC-ZLKJLUDKSA-N 1 2 379.369 0.816 20 5 GCBDLO C[NH+](C)Cc1nc(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])co1 ZINC001179128324 1205802947 /nfs/dbraw/zinc/80/29/47/1205802947.db2.gz PBHPWCGSPSYAFF-UHFFFAOYSA-N 1 2 382.398 0.978 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(OC)n1 ZINC001164706220 719837834 /nfs/dbraw/zinc/83/78/34/719837834.db2.gz XBMKAAXKGLXYQR-SJCJKPOMSA-N 1 2 395.416 0.626 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164706170 719840068 /nfs/dbraw/zinc/84/00/68/719840068.db2.gz WOHUPDAASFHLOF-RHSMWYFYSA-N 1 2 380.401 0.461 20 5 GCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)ncc1[N+](=O)[O-] ZINC001164698376 719851217 /nfs/dbraw/zinc/85/12/17/719851217.db2.gz BUYVDQNKWACCEW-GUYCJALGSA-N 1 2 379.417 0.926 20 5 GCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164705159 719858755 /nfs/dbraw/zinc/85/87/55/719858755.db2.gz TYOXZZDKYQZDCX-SJKOYZFVSA-N 1 2 379.417 0.805 20 5 GCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001164703684 719860764 /nfs/dbraw/zinc/86/07/64/719860764.db2.gz QJOSZQPUOKKZDK-KDOFPFPSSA-N 1 2 394.428 0.769 20 5 GCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1N ZINC001164703643 719866675 /nfs/dbraw/zinc/86/66/75/719866675.db2.gz JZNHSWXEKLGDDV-PXAZEXFGSA-N 1 2 379.417 0.805 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164718901 720214744 /nfs/dbraw/zinc/21/47/44/720214744.db2.gz OKTOKMXRJRIONE-SFHVURJKSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)C1 ZINC001164718901 720214751 /nfs/dbraw/zinc/21/47/51/720214751.db2.gz OKTOKMXRJRIONE-SFHVURJKSA-N 1 2 377.445 0.963 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164717855 720224657 /nfs/dbraw/zinc/22/46/57/720224657.db2.gz JPWCDRMMIJGLLX-QGZVFWFLSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164717855 720224661 /nfs/dbraw/zinc/22/46/61/720224661.db2.gz JPWCDRMMIJGLLX-QGZVFWFLSA-N 1 2 381.408 0.794 20 5 GCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OC)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720117 720239539 /nfs/dbraw/zinc/23/95/39/720239539.db2.gz RNAKIOIMZRHXNN-SFHVURJKSA-N 1 2 393.444 0.663 20 5 GCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OC)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720117 720239542 /nfs/dbraw/zinc/23/95/42/720239542.db2.gz RNAKIOIMZRHXNN-SFHVURJKSA-N 1 2 393.444 0.663 20 5 GCBDLO CCn1cc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC000435795943 530309873 /nfs/dbraw/zinc/30/98/73/530309873.db2.gz GQASNENOGCNELK-LBPRGKRZSA-N 1 2 375.451 0.446 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416592851 530847438 /nfs/dbraw/zinc/84/74/38/530847438.db2.gz VIPRRFOXITZPCF-JTQLQIEISA-N 1 2 375.378 0.459 20 5 GCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416592851 530847441 /nfs/dbraw/zinc/84/74/41/530847441.db2.gz VIPRRFOXITZPCF-JTQLQIEISA-N 1 2 375.378 0.459 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000275429661 530908635 /nfs/dbraw/zinc/90/86/35/530908635.db2.gz FAMWTDVSBPYTQT-UHFFFAOYSA-N 1 2 377.394 0.743 20 5 GCBDLO COc1c(F)cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000275429661 530908636 /nfs/dbraw/zinc/90/86/36/530908636.db2.gz FAMWTDVSBPYTQT-UHFFFAOYSA-N 1 2 377.394 0.743 20 5 GCBDLO C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000443241708 530893574 /nfs/dbraw/zinc/89/35/74/530893574.db2.gz UJCYDFKGTJORCR-AWEZNQCLSA-N 1 2 377.394 0.095 20 5 GCBDLO C[C@@](O)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000443254334 530894139 /nfs/dbraw/zinc/89/41/39/530894139.db2.gz SLCHFQQDHBBHFZ-CQSZACIVSA-N 1 2 377.394 0.095 20 5 GCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467424087 530915668 /nfs/dbraw/zinc/91/56/68/530915668.db2.gz GSKYDZKFXXLYET-UHFFFAOYSA-N 1 2 376.460 0.453 20 5 GCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000823645087 599418413 /nfs/dbraw/zinc/41/84/13/599418413.db2.gz NOKITEDSMKHNDY-UHFFFAOYSA-N 1 2 393.385 0.436 20 5 GCBDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824936601 607588053 /nfs/dbraw/zinc/58/80/53/607588053.db2.gz KCWJKZGAYGCSNF-LLVKDONJSA-N 1 2 395.445 0.928 20 5 GCBDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824936601 607588055 /nfs/dbraw/zinc/58/80/55/607588055.db2.gz KCWJKZGAYGCSNF-LLVKDONJSA-N 1 2 395.445 0.928 20 5 GCBDLO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825443517 607654225 /nfs/dbraw/zinc/65/42/25/607654225.db2.gz CWOHBCNDESZHCS-VHSXEESVSA-N 1 2 381.418 0.393 20 5 GCBDLO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825443517 607654222 /nfs/dbraw/zinc/65/42/22/607654222.db2.gz CWOHBCNDESZHCS-VHSXEESVSA-N 1 2 381.418 0.393 20 5 GCBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824892706 607667303 /nfs/dbraw/zinc/66/73/03/607667303.db2.gz MBOALQZTJFKJPI-UWVGGRQHSA-N 1 2 393.429 0.678 20 5 GCBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000824892706 607667305 /nfs/dbraw/zinc/66/73/05/607667305.db2.gz MBOALQZTJFKJPI-UWVGGRQHSA-N 1 2 393.429 0.678 20 5 GCBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824892707 607667343 /nfs/dbraw/zinc/66/73/43/607667343.db2.gz MBOALQZTJFKJPI-VHSXEESVSA-N 1 2 393.429 0.678 20 5 GCBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000824892707 607667344 /nfs/dbraw/zinc/66/73/44/607667344.db2.gz MBOALQZTJFKJPI-VHSXEESVSA-N 1 2 393.429 0.678 20 5 GCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000823619973 606701923 /nfs/dbraw/zinc/70/19/23/606701923.db2.gz DNZCUEQPLOZWLO-HNNXBMFYSA-N 1 2 392.445 0.790 20 5 GCBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822492499 606708911 /nfs/dbraw/zinc/70/89/11/606708911.db2.gz ZAQCSAQRBQCBRC-UHFFFAOYSA-N 1 2 398.431 0.842 20 5 GCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1-c1nn[nH]n1 ZINC000823648390 606735615 /nfs/dbraw/zinc/73/56/15/606735615.db2.gz VXGRWFABWOOOTO-NSHDSACASA-N 1 2 391.413 0.410 20 5 GCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826362629 608279258 /nfs/dbraw/zinc/27/92/58/608279258.db2.gz BJAFUTMMSLIQGB-UHFFFAOYSA-N 1 2 397.399 0.466 20 5 GCBDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826077882 609143051 /nfs/dbraw/zinc/14/30/51/609143051.db2.gz YPAATQHDXFNLLP-UHFFFAOYSA-N 1 2 387.360 0.608 20 5 GCBDLO O=C(CCc1[nH]cc[nH+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000279213267 1192486676 /nfs/dbraw/zinc/48/66/76/1192486676.db2.gz OCNCHYXEMFLBBV-UHFFFAOYSA-N 1 2 393.425 0.784 20 5 GCBDLO O=C1C(=O)N(Cc2ccc(F)cc2[N+](=O)[O-])C(=O)N1CCC[NH+]1CCOCC1 ZINC000571582305 1192489134 /nfs/dbraw/zinc/48/91/34/1192489134.db2.gz PNPAXXJXFRYCAY-UHFFFAOYSA-N 1 2 394.359 0.747 20 5 GCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000279305354 1192512709 /nfs/dbraw/zinc/51/27/09/1192512709.db2.gz MUMCUXXPFQGXTR-LBPRGKRZSA-N 1 2 390.396 0.370 20 5 GCBDLO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610263543 1184640366 /nfs/dbraw/zinc/64/03/66/1184640366.db2.gz HDEUNJFFYLFKMC-UHFFFAOYSA-N 1 2 392.441 0.615 20 5 GCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000275480771 1184684436 /nfs/dbraw/zinc/68/44/36/1184684436.db2.gz DUHLYGBTXDPZBW-CJNGLKHVSA-N 1 2 381.385 0.930 20 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O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610924306 1186260524 /nfs/dbraw/zinc/26/05/24/1186260524.db2.gz MJIZLKHGNGXOAS-CYBMUJFWSA-N 1 2 388.380 0.124 20 5 GCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCO)CCN1CCOCC1 ZINC000610927558 1186261445 /nfs/dbraw/zinc/26/14/45/1186261445.db2.gz BVYBNVSZELCUBR-UHFFFAOYSA-N 1 2 389.412 0.547 20 5 GCBDLO O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000610945910 1186263718 /nfs/dbraw/zinc/26/37/18/1186263718.db2.gz HBUPCMJCRZTDLS-KGLIPLIRSA-N 1 2 378.429 0.666 20 5 GCBDLO O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1cc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000610945910 1186263724 /nfs/dbraw/zinc/26/37/24/1186263724.db2.gz HBUPCMJCRZTDLS-KGLIPLIRSA-N 1 2 378.429 0.666 20 5 GCBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000551327901 1186410730 /nfs/dbraw/zinc/41/07/30/1186410730.db2.gz AXIZSHPZHORTCX-GJZGRUSLSA-N 1 2 377.397 0.840 20 5 GCBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000551327901 1186410734 /nfs/dbraw/zinc/41/07/34/1186410734.db2.gz AXIZSHPZHORTCX-GJZGRUSLSA-N 1 2 377.397 0.840 20 5 GCBDLO CC(C)(CNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000127507874 1186508774 /nfs/dbraw/zinc/50/87/74/1186508774.db2.gz KBOPIBKCNXOADO-UHFFFAOYSA-N 1 2 378.385 0.730 20 5 GCBDLO CC(C)(C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000478928041 1186544148 /nfs/dbraw/zinc/54/41/48/1186544148.db2.gz HITYSKUTQNPOKY-HNNXBMFYSA-N 1 2 381.433 0.476 20 5 GCBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478951360 1186546254 /nfs/dbraw/zinc/54/62/54/1186546254.db2.gz CFTSYFQJFNDWGW-HNNXBMFYSA-N 1 2 379.413 0.923 20 5 GCBDLO CCOC1CC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)([NH+]2CCOCC2)C1 ZINC000278210802 1186832682 /nfs/dbraw/zinc/83/26/82/1186832682.db2.gz SVBZEJIMYFRJOA-UHFFFAOYSA-N 1 2 380.401 0.695 20 5 GCBDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278290410 1186875110 /nfs/dbraw/zinc/87/51/10/1186875110.db2.gz KVXSXKVYLJVNPR-PBHICJAKSA-N 1 2 393.440 0.830 20 5 GCBDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278290410 1186875114 /nfs/dbraw/zinc/87/51/14/1186875114.db2.gz KVXSXKVYLJVNPR-PBHICJAKSA-N 1 2 393.440 0.830 20 5 GCBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278290413 1186875253 /nfs/dbraw/zinc/87/52/53/1186875253.db2.gz KVXSXKVYLJVNPR-RHSMWYFYSA-N 1 2 393.440 0.830 20 5 GCBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278290413 1186875259 /nfs/dbraw/zinc/87/52/59/1186875259.db2.gz KVXSXKVYLJVNPR-RHSMWYFYSA-N 1 2 393.440 0.830 20 5 GCBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000278399924 1186931139 /nfs/dbraw/zinc/93/11/39/1186931139.db2.gz WFRMDXMHUGHNEG-YOEHRIQHSA-N 1 2 393.440 0.830 20 5 GCBDLO 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COC(=O)COc1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000435038823 1194883867 /nfs/dbraw/zinc/88/38/67/1194883867.db2.gz WVZKSJRNKAZGQB-KRWDZBQOSA-N 1 2 392.368 0.321 20 5 GCBDLO COc1cccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1[N+](=O)[O-] ZINC000435864360 1194970287 /nfs/dbraw/zinc/97/02/87/1194970287.db2.gz GPKSTLWVBHBWSC-UHFFFAOYSA-N 1 2 375.385 1.384 20 5 GCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425515144 1194996322 /nfs/dbraw/zinc/99/63/22/1194996322.db2.gz WPNCDSAZBUPPPB-HONMWMINSA-N 1 2 382.323 0.955 20 5 GCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425515144 1194996324 /nfs/dbraw/zinc/99/63/24/1194996324.db2.gz WPNCDSAZBUPPPB-HONMWMINSA-N 1 2 382.323 0.955 20 5 GCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000516607100 1195072990 /nfs/dbraw/zinc/07/29/90/1195072990.db2.gz AILYNXBWVYCTTK-NSHDSACASA-N 1 2 386.430 0.539 20 5 GCBDLO 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ZINC000509618778 1196060277 /nfs/dbraw/zinc/06/02/77/1196060277.db2.gz MKJOLJRSMVQIRH-ZDUSSCGKSA-N 1 2 376.373 0.267 20 5 GCBDLO C[N@H+](CC(N)=O)C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000509618778 1196060280 /nfs/dbraw/zinc/06/02/80/1196060280.db2.gz MKJOLJRSMVQIRH-ZDUSSCGKSA-N 1 2 376.373 0.267 20 5 GCBDLO COCC[NH+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000281253458 1196285211 /nfs/dbraw/zinc/28/52/11/1196285211.db2.gz UTEWHQQAHPGYFO-UHFFFAOYSA-N 1 2 382.442 0.576 20 5 GCBDLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440500032 1196510000 /nfs/dbraw/zinc/51/00/00/1196510000.db2.gz ODXXHLJQAKJMCO-GFCCVEGCSA-N 1 2 378.433 0.507 20 5 GCBDLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440500032 1196510002 /nfs/dbraw/zinc/51/00/02/1196510002.db2.gz ODXXHLJQAKJMCO-GFCCVEGCSA-N 1 2 378.433 0.507 20 5 GCBDLO C[C@@H]1C[N@H+](CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 ZINC000523712689 1196553194 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/nfs/dbraw/zinc/37/50/04/1197375004.db2.gz QSFDIEGYLHFXAY-ZDUSSCGKSA-N 1 2 393.425 0.934 20 5 GCBDLO C[C@@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000454557211 1197421634 /nfs/dbraw/zinc/42/16/34/1197421634.db2.gz ZVJUMTPLGDYMRG-CABCVRRESA-N 1 2 392.460 0.931 20 5 GCBDLO CC(=O)NC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532974954 1197423830 /nfs/dbraw/zinc/42/38/30/1197423830.db2.gz HMNFTHGSGDOTOV-AWEZNQCLSA-N 1 2 378.385 0.730 20 5 GCBDLO CC(=O)NC[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532974954 1197423831 /nfs/dbraw/zinc/42/38/31/1197423831.db2.gz HMNFTHGSGDOTOV-AWEZNQCLSA-N 1 2 378.385 0.730 20 5 GCBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000065780771 1199353158 /nfs/dbraw/zinc/35/31/58/1199353158.db2.gz CUHLPYUHPVJAAA-UHFFFAOYSA-N 1 2 386.412 0.625 20 5 GCBDLO Cc1noc(CN2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000123481687 1199786473 /nfs/dbraw/zinc/78/64/73/1199786473.db2.gz OZOCTQNJRAZSBV-OAHLLOKOSA-N 1 2 377.401 0.844 20 5 GCBDLO COC(=O)c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000766075661 1200325201 /nfs/dbraw/zinc/32/52/01/1200325201.db2.gz APZGJIQRNSFMOS-UHFFFAOYSA-N 1 2 388.398 0.812 20 5 GCBDLO Nc1nsc(N2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000542212292 1201174429 /nfs/dbraw/zinc/17/44/29/1201174429.db2.gz KYVHEUQOFFHHDZ-LLVKDONJSA-N 1 2 380.430 0.590 20 5 GCBDLO Cn1cc(C[NH+]2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cn1 ZINC000729989240 1201424267 /nfs/dbraw/zinc/42/42/67/1201424267.db2.gz UFKQAQAYMAESAY-UHFFFAOYSA-N 1 2 384.396 0.700 20 5 GCBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731651051 1201492929 /nfs/dbraw/zinc/49/29/29/1201492929.db2.gz SPEKKMMOQCFUGZ-UHFFFAOYSA-N 1 2 398.485 0.900 20 5 GCBDLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000731838137 1201506163 /nfs/dbraw/zinc/50/61/63/1201506163.db2.gz GQYVNAMEGLVTGQ-UHFFFAOYSA-N 1 2 384.458 0.724 20 5 GCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746469065 1201925312 /nfs/dbraw/zinc/92/53/12/1201925312.db2.gz KGXHUUQPWDQEGB-QWVSSGJLSA-N 1 2 398.485 0.927 20 5 GCBDLO COc1ccc(NC(=O)CCN2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000746471746 1201927055 /nfs/dbraw/zinc/92/70/55/1201927055.db2.gz BXRYJTOKXMUOGB-HHHXNRCGSA-N 1 2 398.485 0.928 20 5 GCBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 ZINC000766865355 1201958204 /nfs/dbraw/zinc/95/82/04/1201958204.db2.gz FPIIRMODVKCXMA-KRWDZBQOSA-N 1 2 383.470 0.823 20 5 GCBDLO C[C@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)[C@H]1C[N@H+](C)CCO1 ZINC000770730221 1202108658 /nfs/dbraw/zinc/10/86/58/1202108658.db2.gz WPJOVQFFQIEHHO-JOYOIKCWSA-N 1 2 396.356 0.723 20 5 GCBDLO C[C@H](NC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000770730221 1202108659 /nfs/dbraw/zinc/10/86/59/1202108659.db2.gz WPJOVQFFQIEHHO-JOYOIKCWSA-N 1 2 396.356 0.723 20 5 GCBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000771144031 1202127602 /nfs/dbraw/zinc/12/76/02/1202127602.db2.gz FFOONRSRBMDSRB-SANMLTNESA-N 1 2 380.470 0.988 20 5 GCBDLO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000771481683 1202143582 /nfs/dbraw/zinc/14/35/82/1202143582.db2.gz BUYQKRDMXKLKPG-UHFFFAOYSA-N 1 2 387.462 0.680 20 5 GCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000788157571 1205415733 /nfs/dbraw/zinc/41/57/33/1205415733.db2.gz YEDFNOORIZUTLK-OAHLLOKOSA-N 1 2 384.352 0.949 20 5 GCBDLO NC(=O)N1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173698965 1205726927 /nfs/dbraw/zinc/72/69/27/1205726927.db2.gz WHEQILSJOBKXSG-UHFFFAOYSA-N 1 2 397.457 0.444 20 5 GCBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001178205025 1205783883 /nfs/dbraw/zinc/78/38/83/1205783883.db2.gz WIDMPKDYQVDKJB-HNNXBMFYSA-N 1 2 378.429 0.860 20 5 GCBDLO COc1c(O)ccc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1[N+](=O)[O-] ZINC001183256263 1205890308 /nfs/dbraw/zinc/89/03/08/1205890308.db2.gz JKFALUIRPIWSTR-UHFFFAOYSA-N 1 2 380.401 0.479 20 5 GCBDLO COc1c(O)ccc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1[N+](=O)[O-] ZINC001183256263 1205890311 /nfs/dbraw/zinc/89/03/11/1205890311.db2.gz JKFALUIRPIWSTR-UHFFFAOYSA-N 1 2 380.401 0.479 20 5 GCBDLO